Oxaceprol

Synopsis, Chemistry

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Also known as: 33996-33-7, N-acetyl-l-hydroxyproline, (2s,4r)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid, Ac-hyp-oh, Jonctum, Oxaceprol [inn]

Molecular Formula

C₇H₁₁NO₄

Molecular Weight

173.17 g/mol

InChI Key

BAPRUDZDYCKSOQ-RITPCOANSA-N

FDA UNII

Q0XV76B96L

1 2D Structure

Oxaceprol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C7H11NO4/c1-4(9)8-3-5(10)2-6(8)7(11)12/h5-6,10H,2-3H2,1H3,(H,11,12)/t5-,6+/m1/s1

2.1.3 InChI Key

BAPRUDZDYCKSOQ-RITPCOANSA-N

2.1.4 Canonical SMILES

CC(=O)N1CC(CC1C(=O)O)O

2.1.5 Isomeric SMILES

CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

Q0XV76B96L

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Jonctum

2. N-acetyl Cis-4-hydroxy-l-proline

3. N-acetyl-4-hydroxyproline

4. N-acetylhydroxyproline

5. Oxaceprol, (cis)-isomer

6. Tejuntivo

2.3.2 Depositor-Supplied Synonyms

1. 33996-33-7

2. N-acetyl-l-hydroxyproline

3. (2s,4r)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic Acid

4. Ac-hyp-oh

5. Jonctum

6. Oxaceprol [inn]

7. L-proline, 1-acetyl-4-hydroxy-, (4r)-

8. Trans-1-acetyl-4-hydroxy-l-proline

9. N-acetyl-trans-4-hydroxy-l-proline

10. Acetyl Hydroxyproline

11. Q0xv76b96l

12. Oxaceprol (inn)

13. (-)-1-acetyl-4-hydroxy-l-proline

14. N-acetylhydroxyproline

15. Dsstox_cid_26410

16. Dsstox_rid_81589

17. Dsstox_gsid_46410

18. Oxaceprolum

19. Tejuntivo

20. Mfcd00037339

21. Smr000857165

22. Cas-33996-33-7

23. Oxaceprolum [inn-latin]

24. Unii-q0xv76b96l

25. Ahp 200

26. Ncgc00164517-01

27. Einecs 251-780-6

28. Jonctum (tn)

29. (4r)-1-acetyl-4-hydroxy-l-proline

30. Oxaceprol [mi]

31. Acetyl-l-4-hydroxyproline

32. Oxaceprol [mart.]

33. Oxaceprol [who-dd]

34. Schembl25976

35. Mls001332445

36. Mls001332446

37. Chembl1407356

38. Dtxsid2046410

39. Hms2231j23

40. Zinc154540

41. Acetyl Hydroxyproline [inci]

42. Tox21_112152

43. Ab1252

44. Akos012536015

45. Akos015837714

46. Tox21_112152_1

47. Acetyl-4-hydroxy-l-proline, Trans-1-

48. Ccg-266379

49. Cs-5680

50. Db13363

51. Nalpha-acetyl-l-4-trans-hydroxyproline

52. Ncgc00274081-01

53. Hy-17490

54. Ts-00164

55. Db-009006

56. S3997

57. Trans-1-acetyl-4-hydroxy-l-proline, >=98%

58. D07215

59. 996a337

60. A822032

61. Q408948

62. W-106758

63. (2s)-1-acetyl-3-hydroxy-pyrrolidine-2-carboxylic Acid

64. (2s,4r)-1-acetyl-4-hydroxy-2-pyrrolidinecarboxylic Acid

65. (2s,4r)-1-acetyl-4-hydroxy-pyrrolidine-2-carboxylic Acid

66. 2235464-65-8

2.4 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₁NO₄
Molecular Weight	173.17 g/mol
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	173.06880783 g/mol
Monoisotopic Mass	173.06880783 g/mol
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	216
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1