1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2-methylpropyl)pentanedioic acid

2.1.2 InChI

InChI=1S/C9H16O4/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13)

2.1.3 InChI Key

UATSLDZQNXAKMA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)CC(CC(=O)O)CC(=O)O

2.2 Other Identifiers

2.2.1 UNII

EMH1IVR5QH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 75143-89-4

2. 3-(2-methylpropyl)pentanedioic Acid

3. 3-isobutylpentanedioic Acid

4. Pentanedioic Acid, 3-(2-methylpropyl)-

5. Isobutylglutaric Acid

6. Emh1ivr5qh

7. 3-isobutyl Glutaric Acid

8. Mfcd15529751

9. 3-isobutylglutaricacid

10. Pregabalin Impurity 4

11. Unii-emh1ivr5qh

12. Schembl1410027

13. Amy4101

14. Dtxsid00450420

15. Bcp12370

16. Zinc49588169

17. Akos015841726

18. Cs-w019327

19. Ac-25625

20. As-10103

21. Sy033309

22. Ft-0657207

23. D70576

24. 143i894

25. A838334

26. J-512713

27. 2,3-dihydro-1h-indole-4-carbonitrilehydrochloride

28. 3-(2-methylpropyl)pentanedioic Acid (3-isobutylglutaric Acid)

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₆O₄
Molecular Weight	188.22 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	188.10485899 g/mol
Monoisotopic Mass	188.10485899 g/mol
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 75143-89-4

CAS 75143-89-4

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