020A837

Synopsis, Chemistry

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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

020A837

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 Formula	C₇H₁₁NO₃
Molecular Weight	157.17 g/mol
XLogP3	-0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	157.07389321 g/mol
Monoisotopic Mass	157.07389321 g/mol
Topological Polar Surface Area	57.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	190
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1