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Also known as: 181289-33-8, (r)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid, (r)-(-)-3-carbamoymethyl-5-methylhexanoic acid, (r)-3-(carbamoylmethyl)-5-methylhexanoic acid, R-(-)-3-(carbamoylmethyl)-5-methylhexanoic acid, (r)-(-)-3-(carbamoylmethyl)-5-methylhexanoic acid
Molecular Formula
C9H17NO3
Molecular Weight
187.24  g/mol
InChI Key
NPDKTSLVWGFPQG-SSDOTTSWSA-N
FDA UNII
77M6VOR9AZ

CAS 181289-33-8
1 2D Structure

CAS 181289-33-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid
2.1.2 InChI
InChI=1S/C9H17NO3/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13)/t7-/m1/s1
2.1.3 InChI Key
NPDKTSLVWGFPQG-SSDOTTSWSA-N
2.1.4 Canonical SMILES
CC(C)CC(CC(=O)N)CC(=O)O
2.1.5 Isomeric SMILES
CC(C)C[C@H](CC(=O)N)CC(=O)O
2.2 Other Identifiers
2.2.1 UNII
77M6VOR9AZ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 181289-33-8

2. (r)-3-(2-amino-2-oxoethyl)-5-methylhexanoic Acid

3. (r)-(-)-3-carbamoymethyl-5-methylhexanoic Acid

4. (r)-3-(carbamoylmethyl)-5-methylhexanoic Acid

5. R-(-)-3-(carbamoylmethyl)-5-methylhexanoic Acid

6. (r)-(-)-3-(carbamoylmethyl)-5-methylhexanoic Acid

7. Isobutyl Glutarmonoamide

8. 77m6vor9az

9. Hexanoic Acid, 3-(2-amino-2-oxoethyl)-5-methyl-, (r)-

10. Hexanoic Acid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3r)-

11. Mfcd09028111

12. Pigmentyellow55

13. (3r)-3-(carbamoylmethyl)-5-methylhexanoic Acid

14. (r)-(-)-3-(carbamoymethyl)-5-methylhexanoic Acid

15. Pregabalin Impurity Iii

16. Intermediate Of Pregabalin

17. Unii-77m6vor9az

18. Ec 605-923-8

19. Pci-6

20. Isobutylglutarmonoamide

21. Schembl664033

22. (3r)-3-isobutylglutaramidic Acid

23. Dtxsid401253937

24. Amy40419

25. Bcp09597

26. Zinc22005637

27. Akos006291565

28. Ac-6812

29. Gs-3374

30. (r)-3-isobutyl Glutaric Acid Monoamide

31. (r)-3-carbamoymethyl-5-methylhexanoic Acid

32. Cs-0030799

33. Pregabalin Impurity Isobutylglutarmonoamide

34. A846639

35. (r)-3-(2-amino-2-oxoethyl)-5-methylhexanoicacid

36. (r)-(-)-3-(2-amino-2-oxoethyl)-5-methylhexanoic Acid

2.3.2 Other Synonyms

1. (r)-3-(2-amino-2-oxoethyl)-5-methylhexanoic Acid

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 187.24 g/mol
Molecular Formula C9H17NO3
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass187.12084340 g/mol
Monoisotopic Mass187.12084340 g/mol
Topological Polar Surface Area80.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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PackExpo
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Virtual BoothFaran Shimi: Leading producer of high-quality APIs & alkaloid opiates, serving major pharmaceutical companies across the Middle East.

R-(Carbamoylmethyl)-Methylhexanoic Acid

CAS Number : 181289-33-8

End Use API :

About the Company : Faran Shimi Pharmaceutical Company, established in 2001 and affiliated with Golrang Pharmaceutical Investment Co, manufactures high-quality Active Pharmaceutical Ingredients (APIs) and ...

Faran Shimi Pharmaceutical

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Virtual BoothChynops Pharma is an ideal sourcing partner for high-quality APIs, advanced intermediates, speciality chemicals & excipients.

(R)-(-)-3-(Carbamoymethyl)-5- methylhexanoic acid

CAS Number : 181289-33-8

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About the Company : Chynops Pharma, a company certified with ISO 9001:2015, is situated in Ahmedabad, India. We specialize in exporting, supplying, and trading a wide range of products, including APIs, Adv...

Chynops Pharma

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((R)-(-)-3-(Carbamoyl methyl)-5-methyl hexanoic ac...

CAS Number : 181289-33-8

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About the Company : Alembic Pharmaceuticals Limited is a leading pharmaceutical company in India. The Company is vertically integrated with the ability to develop, manufacture and market pharmaceutical pro...

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(R) (-) 3-Carbamoylmethyl-5-methylhexanoic acid

CAS Number : 181289-33-8

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About the Company : Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Allchem Laboratories, it is an independent privately owned company.Name changed fr...

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05

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(R)–(–)–3–(Carbamoyl methyl) –5–methyl...

CAS Number : 181289-33-8

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About the Company : Believe pharma is one of the leading manufacturers of APIs and its intermediates with multi-dimensional business activities. The company maintain a high standard of quality in complian...

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06

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R-(-)-3-(carbamoylmethyl)-5-methylhexanoic acid or...

CAS Number : 181289-33-8

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About the Company : Elixir Pharma is founded in Sep 2009 by a group of seasoned, experienced techno commercial professionals in Ahmadabad, Gujarat (India). Elixir Pharma aspires to emerge as a leading Fine...

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R)-(-)-3-(Carbamoymethyl)-5-methylhexanoic acid

CAS Number : 181289-33-8

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About the Company : With over twenty years of experience in chemicals and pharmaceuticals industries, our team boasts unparalleled expertise in fine chemicals, advanced pharmaceutical intermediates, and va...

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Hikal Ltd.

India
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R-(-)-3-(Carbamoyl methyl)-5-methyl hexanoic acid

CAS Number : 181289-33-8

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About the Company : Hikal is an established provider of research services, active ingredients, intermediates and regulatory starting materials under cGMP conditions to thePharmaceutical, Crop Protection an...

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(R)-3-(Carbamoylmethyl)-5-methylhexanoic Acid

CAS Number : 185815-61-6

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About the Company : Kosher Pharmaceutical Pvt ltd is a privately owned and professionally managed Organization with its corporate office located at Ameerpet , Hyderabad and manufacturing facility located a...

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(±)-3-(Carbamoylmethyl)-5-methylhexanoicacid

CAS Number : 181289-15-6

End Use API :

About the Company : Kosher Pharmaceutical Pvt ltd is a privately owned and professionally managed Organization with its corporate office located at Ameerpet , Hyderabad and manufacturing facility located a...

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