CAS 181289-15-6 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 181289-15-6, 3-carbamoymethyl-5-methylhexanoic acid, Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-, 3-(carbamoylmethyl)-5-methylhexanoic acid, Mfcd08457698, (+/-)-3-(carbamoylmethyl)-5-methylhexanoic acid
Molecular Formula
C9H17NO3
Molecular Weight
187.24  g/mol
InChI Key
NPDKTSLVWGFPQG-UHFFFAOYSA-N

CAS 181289-15-6
1 2D Structure

CAS 181289-15-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
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)
2.1.3 InChI Key
NPDKTSLVWGFPQG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)CC(CC(=O)N)CC(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 181289-15-6

2. 3-carbamoymethyl-5-methylhexanoic Acid

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

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

5. Mfcd08457698

6. (+/-)-3-(carbamoylmethyl)-5-methylhexanoic Acid

7. Mfcd09028111

8. Pregabalin Impurity 10

9. 3-(2-amino-2-oxoethyl)-5-methylhexanoicacid

10. Rac-pregabalin Impurity Iii

11. Schembl664076

12. Dtxsid60446389

13. Bcp14082

14. ( Inverted Exclamation Marka)-3-(carbamoylmethyl)-5-methylhexanoic Acid

15. Akos006289231

16. Ac-7772

17. Am84634

18. Sb44410

19. 3-carbamoylmethyl-5-methyl-hexanoic Acid

20. As-15327

21. Sy046614

22. Sy102936

23. Cs-0154068

24. Ft-0648924

25. Ft-0651253

26. Ft-0696295

27. 3-(2-amino-2-oxoethyl)-5-methyl-hexanoic Acid

28. 289c156

29. 3-(2-amino-2-oxoethyl)-5-methylhexanoic

30. A812604

31. A1-00280

32. ( Inverted Exclamation Marka)-3-(carbamoylmethyl)-5-methylhexanoicacid

2.3 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 Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more

MARKET PLACE

Do you need sourcing support? Ask us
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty