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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 344-25-2, (r)-pyrrolidine-2-carboxylic acid, (2r)-pyrrolidine-2-carboxylic acid, H-d-pro-oh, D-(+)-proline, D-prolin

Molecular Formula

C₅H₉NO₂

Molecular Weight

115.13 g/mol

InChI Key

ONIBWKKTOPOVIA-SCSAIBSYSA-N

FDA UNII

L01Q4LGZ5L

D-proline is an isomer of the naturally occurring amino acid, L-Proline. D-amino acids have been found in relatively high abundance in human plasma and saliva. These amino acids may be of bacterial origin, but there is also evidence that they are endogenously produced through amino acid racemase activity.

1 2D Structure

D-Proline API

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-pyrrolidine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1

2.1.3 InChI Key

ONIBWKKTOPOVIA-SCSAIBSYSA-N

2.1.4 Canonical SMILES

C1CC(NC1)C(=O)O

2.1.5 Isomeric SMILES

C1C[C@@H](NC1)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

L01Q4LGZ5L

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 344-25-2

2. (r)-pyrrolidine-2-carboxylic Acid

3. (2r)-pyrrolidine-2-carboxylic Acid

4. H-d-pro-oh

5. D-(+)-proline

6. D-prolin

7. R-proline

8. D-pro

9. D-pyrrolidine-2-carboxylic Acid

10. (r)-2-carboxypyrrolidine

11. (r)-proline

12. D-2-pyrrolidinecarboxylic Acid

13. H-pros-oh

14. H-dpro-oh

15. Chebi:16313

16. Einecs 206-452-7

17. Mfcd00064317

18. L01q4lgz5l

19. 1331908-17-8

20. (2r)-pyrrolidine-2-carboxylate

21. (2r)-2-carboxypyrrolidine

22. (d)-proline

23. D(+)-proline

24. Sbb006712

25. D-d-pro-oh

26. Starbld0002768

27. R)-2-carboxypyrrolidine

28. Proline, D-

29. Unii-l01q4lgz5l

30. Ncistruc1_001918

31. Ncistruc2_000132

32. Schembl65555

33. (+)-(r)-proline

34. Chembl80257

35. (r)-pyrrolidine-2-carboxylate

36. Gtpl4676

37. Dtxsid70883367

38. Zinc895071

39. Pyrrolidine-2-(r)-carboxylic Acid

40. Act05623

41. Nci97923

42. Bdbm50357224

43. Ccg-37784

44. S6016

45. Akos015923206

46. D-proline, Reagentplus(r), >=99%

47. Cs-w020557

48. Db02853

49. Ncgc00163339-01

50. Ncgc00163339-02

51. Pyrrolidine-2-carboxylic Acid;d-proline

52. Ac-24083

53. Hy-75087

54. Ts-01590

55. D-proline, Vetec(tm) Reagent Grade, 98%

56. Am20090537

57. P0994

58. C00763

59. P-7200

60. 344p252

61. J-300218

62. Q20035962

63. F1905-6974

64. Z1259341129

65. D2735f99-0d23-48c4-b266-5c7a7da319a4

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₅H₉NO₂
Molecular Weight	115.13 g/mol
XLogP3	-2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	115.063328530 g/mol
Monoisotopic Mass	115.063328530 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	103
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