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Technical details about 020A837, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 68-95-1, Ac-pro-oh, N-acetylproline, Acetylproline, 1-acetyl-l-proline, Acetyl proline
Molecular Formula
C7H11NO3
Molecular Weight
157.17  g/mol
InChI Key
GNMSLDIYJOSUSW-LURJTMIESA-N
FDA UNII
CC8XZ138VZ

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-1-acetylpyrrolidine-2-carboxylic acid
2.1.2 InChI
InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1
2.1.3 InChI Key
GNMSLDIYJOSUSW-LURJTMIESA-N
2.1.4 Canonical SMILES
CC(=O)N1CCCC1C(=O)O
2.1.5 Isomeric SMILES
CC(=O)N1CCC[C@H]1C(=O)O
2.2 Other Identifiers
2.2.1 UNII
CC8XZ138VZ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 68-95-1

2. Ac-pro-oh

3. N-acetylproline

4. Acetylproline

5. 1-acetyl-l-proline

6. Acetyl Proline

7. Acetyl-l-proline

8. L-proline, 1-acetyl-

9. (2s)-1-acetylpyrrolidine-2-carboxylic Acid

10. (s)-1-acetylpyrrolidine-2-carboxylic Acid

11. (s)-1-acetyl-pyrrolidine-2-carboxylic Acid

12. Proline, 1-acetyl-, L-

13. (s)-n-acetylproline

14. (s)-(-)-n-acetylproline

15. Cc8xz138vz

16. Chebi:21560

17. Mfcd00020837

18. N7p

19. Unii-cc8xz138vz

20. Acetyl-proline

21. 4avs

22. N-acetyl Proline

23. Nsc-280718

24. 1-acetylproline #

25. Einecs 200-698-9

26. Nsc 280718

27. Dl-proline, 1-acetyl-

28. (r)-(+)-acetylproline

29. Mls000774349

30. Acetyl Proline [inci]

31. Schembl358379

32. Chembl1234599

33. L-proline, 1-acetyl- (9ci)

34. Dtxsid00910312

35. Hms2765i14

36. Zinc119664

37. Act08606

38. Akos000302142

39. Akos001121369

40. Am82193

41. Cs-w004114

42. Db03360

43. (s)-acetyl-pyrrolidine-2-carboxylic Acid

44. Ds-13404

45. Smr000365399

46. 020a837

47. J-300220

48. N-acetyl-l-proline, Vetec(tm) Reagent Grade, 98%

49. Q-101648

50. Q27094301

51. Z85923459

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 157.17 g/mol
Molecular Formula C7H11NO3
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass157.07389321 g/mol
Monoisotopic Mass157.07389321 g/mol
Topological Polar Surface Area57.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity190
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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