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Also known as: 69542-93-4, 4-pivalamidobutanoic acid, 4-[(2,2-dimethylpropanoyl)amino]butanoic acid, Cxb-722, Pivagabine [inn], 4-(2,2-dimethylpropanoylamino)butanoic acid

Molecular Formula

C₉H₁₇NO₃

Molecular Weight

187.24 g/mol

InChI Key

SRPNQDXRVRCTNK-UHFFFAOYSA-N

FDA UNII

C53SV0WO4V

Pivagabine has been used in trials studying the treatment of Stress and Anxiety.

1 2D Structure

Pivagabine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(2,2-dimethylpropanoylamino)butanoic acid

2.1.2 InChI

InChI=1S/C9H17NO3/c1-9(2,3)8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)

2.1.3 InChI Key

SRPNQDXRVRCTNK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

C53SV0WO4V

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-((2,2-dimethyl-1-oxopropyl)amino)butanoic Acid

2. N-trimethylacetyl Gaba

3. N-trimethylacetyl-4-aminobutyric Acid

4. Pivagabin

5. Tonerg

2.3.2 Depositor-Supplied Synonyms

1. 69542-93-4

2. 4-pivalamidobutanoic Acid

3. 4-[(2,2-dimethylpropanoyl)amino]butanoic Acid

4. Cxb-722

5. Pivagabine [inn]

6. 4-(2,2-dimethylpropanoylamino)butanoic Acid

7. Cxb722

8. 4-pivalamidobutyric Acid

9. C53sv0wo4v

10. Pivagabine (inn)

11. 4-(2,2-dimethylpropionylamino)butyric Acid

12. Ncgc00160457-01

13. Dsstox_cid_26162

14. Dsstox_rid_81393

15. Dsstox_gsid_46162

16. Tonerg

17. Cas-69542-93-4

18. 4-pivalamidobutanoicacid

19. Sr-01000945179

20. N-trimethylacetyl-4-aminobutyric Acid

21. Unii-c53sv0wo4v

22. Einecs 274-038-3

23. 4-(2,2-dimethylpropanamido)butanoic Acid

24. 4-pivalamido-butyric Acid

25. Pivagabine [mart.]

26. Pivagabine [who-dd]

27. Schembl96152

28. Butyric Acid, 4-pivalamido-

29. N-pivaloyl-4-aminobutyric Acid

30. Chembl1870796

31. Dtxsid3046162

32. Niosh/et6170000

33. Chebi:134834

34. Act10073

35. Zinc1545856

36. Tox21_111827

37. Mfcd00868454

38. Akos000127419

39. Tox21_111827_1

40. Db12951

41. Ncgc00160457-02

42. Da-18317

43. Hy-108295

44. 4- (2,2-dimethylpropionylamino)butyric Acid

45. Cs-0028165

46. Et61700000

47. Ft-0744708

48. 4-((2,2-dimethylpropionyl)amino)butyric Acid

49. En300-27463

50. D07342

51. A866811

52. J-514186

53. Q7199622

54. Sr-01000945179-1

55. Sr-01000945179-2

56. Z85888809

57. Butanoic Acid, 4-((2,2-dimethyl-1-oxopropyl)amino)-

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₇NO₃
Molecular Weight	187.24 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	187.12084340 g/mol
Monoisotopic Mass	187.12084340 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	194
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