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102849-49-0
PharmaCompass
102849-49-0
Also known as: 102849-49-0, (s)-2-(2-oxopyrrolidin-1-yl)butanoic acid, Unii-s19061909r, 2-(2-oxopyrrolidin-1-yl)butanoic acid, (2s)-, 1-pyrrolidineacetic acid, alpha-ethyl-2-oxo-, (alphas)-, (2s)-2-(2-oxopyrrolidin-1-yl)butanoicacid
Molecular Formula
C8H13NO3
Molecular Weight
171.19  g/mol
InChI Key
IODGAONBTQRGGG-LURJTMIESA-N
FDA UNII
S19061909R

1 2D Structure

102849-49-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid
2.1.2 InChI
InChI=1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
2.1.3 InChI Key
IODGAONBTQRGGG-LURJTMIESA-N
2.1.4 Canonical SMILES
CCC(C(=O)O)N1CCCC1=O
2.1.5 Isomeric SMILES
CC[C@@H](C(=O)O)N1CCCC1=O
2.2 Other Identifiers
2.2.1 UNII
S19061909R
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 102849-49-0

2. (s)-2-(2-oxopyrrolidin-1-yl)butanoic Acid

3. Unii-s19061909r

4. 2-(2-oxopyrrolidin-1-yl)butanoic Acid, (2s)-

5. 1-pyrrolidineacetic Acid, Alpha-ethyl-2-oxo-, (alphas)-

6. (2s)-2-(2-oxopyrrolidin-1-yl)butanoicacid

7. (2s)-2- (2- Oxopyrrolidin -1-yl) Butanoic Acid

8. S19061909r

9. (2s)-2-(2-oxo-1-pyrrolidinyl)butanoic Acid

10. J-501010

11. (s)-levetiracetam Acid

12. Levetiracetam Acid, (-)-

13. Levetiracetam Carboxylic Acid

14. 2-pyrrolidinone-n-butyric Acid

15. Ucb-l 057

16. Chembl1287

17. Levetiracetam Impurity, Levetiracetam Acid- [usp]

18. Schembl1877216

19. Jsp000311

20. Ctk4a1548

21. Dtxsid00145541

22. Chebi:143418

23. Iodgaonbtqrggg-lurjtmiesa-n

24. Anw-45230

25. Co-042

26. Fch858918

27. Mfcd08272027

28. Zinc13559003

29. Akos006285768

30. Akos015841982

31. Ab44229

32. Ac-1460

33. Ls30300

34. Rp23344

35. Rtc-020885

36. (2s)-2-(2-oxopyrrolizino)butyric Acid

37. Aj-64178

38. Ak-32691

39. An-14891

40. An-34152

41. Bc209263

42. N757

43. O366

44. Ax8005416

45. Db-005503

46. St2414572

47. Tc-020885

48. Tl8000134

49. Tx-017670

50. (s)-2-(2-oxopyrrolidin-1-yl) Butyric Acid

51. Ft-0600415

52. Ft-0674887

53. (s)-alpha-ethyl-2-oxo Pyrrolidine Acetic Acid

54. (

55. As)-

56. A-ethyl-2-oxo-1-pyrrolidineacetic Acid

57. (2s)-2- (2-oxopyrrolidin-1-yl) Butanoic Acid

58. (s)-alpha-ethyl-2-oxo-1-pyrrolidineacetic Acid

59. 1-pyrrolidineaceticacid, A-ethyl-2-oxo-, (as)-

60. 833o723

61. 849o490

62. A800630

63. C-34192

64. (2s)-2-(2-oxidanylidenepyrrolidin-1-yl)butanoic Acid

65. (s)-2-(2-oxo-pyrrolidin-1-yl)-butyric Acid

66. Unii-t5gz0ul12v Component Iodgaonbtqrggg-lurjtmiesa-n

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 171.19 g/mol
Molecular Formula C8H13NO3
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass171.089543 g/mol
Monoisotopic Mass171.089543 g/mol
Topological Polar Surface Area57.6
Heavy Atom Count12
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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