MolPort-001-791-750

Synopsis, Chemistry

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Also known as: 149-87-1, 5-oxopyrrolidine-2-carboxylic acid, 2-pyrrolidone-5-carboxylic acid, 5-oxo-dl-proline, Dl-proline, 5-oxo-, Dl-2-pyrrolidone-5-carboxylic acid

Molecular Formula

C₅H₇NO₃

Molecular Weight

129.11 g/mol

InChI Key

ODHCTXKNWHHXJC-UHFFFAOYSA-N

FDA UNII

6VT1YZM21H

A cyclized derivative of L-GLUTAMIC ACID. Elevated blood levels may be associated with problems of GLUTAMINE or GLUTATHIONE metabolism.

1 2D Structure

MolPort-001-791-750

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-oxopyrrolidine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)

2.1.3 InChI Key

ODHCTXKNWHHXJC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(=O)NC1C(=O)O

2.2 Other Identifiers

2.2.1 UNII

6VT1YZM21H

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5-ketoproline

2. 5-oxoproline

3. 5-oxopyrrolidine-2-carboxylic Acid

4. Magnesium Pidolate

5. Pidolate, Magnesium

6. Pidolic Acid

7. Pyroglutamate

8. Pyroglutamic Acid

9. Pyrrolidonecarboxylic Acid

2.3.2 Depositor-Supplied Synonyms

1. 149-87-1

2. 5-oxopyrrolidine-2-carboxylic Acid

3. 2-pyrrolidone-5-carboxylic Acid

4. 5-oxo-dl-proline

5. Dl-proline, 5-oxo-

6. Dl-2-pyrrolidone-5-carboxylic Acid

7. Dl-glutamic Acid Lactam

8. Dl-pyrrolidonecarboxylic Acid

9. 6vt1yzm21h

10. Chebi:16010

11. Pyr-oh

12. Nsc-40887

13. Dl-pidolic Acid

14. 16891-48-8

15. Unii-6vt1yzm21h

16. 2-pyrrolidone-5-carboxylicacid

17. Mfcd00066212

18. Dl-5-oxoproline

19. 5-oxoproline #

20. Dl-pyroglutamicacid

21. 5-oxo-2-pyrrolidinecarboxylic Acid

22. Einecs 205-748-3

23. Mfcd00064322

24. Nsc 40887

25. D,l-pyroglutamic Acid

26. H-dl-pyr-oh

27. (+/-)-pyroglutamic Acid

28. Pidolic Acid, Dl-

29. Schembl15791

30. Mls001304098

31. Pyroglutamic Acid, Dl-

32. Chembl284718

33. Gtpl4703

34. Dtxsid80859174

35. Proline, 5-oxo-, Dl-

36. Hms2269d08

37. Hms3372f13

38. Albb-006003

39. Glp

40. Nsc40887

41. 5-oxo-pyrrolidine-2-carboxylic Acid

42. Bbl011576

43. Nsc143034

44. Stk290904

45. Dl-2-pyrrolidinone-5-carboxylic Acid

46. Akos000119789

47. Akos016338215

48. Cs-w013454

49. Hy-w012738

50. Pb42767

51. Ps-6138

52. 2-pyrrolidone-5-carboxylic Acid, 99%

53. (+/-)-2-pyrrolidone-5-carboxylic Acid

54. Ncgc00263467-03

55. Smr000112493

56. Sy002490

57. Db-043022

58. Db-049588

59. Am20080373

60. Bb 0241896

61. Ft-0605097

62. Ft-0613406

63. Ft-0628008

64. G0061

65. D77751

66. (^+)-2-pyrrolidinone-5-carboxylic Acid, 99%

67. Ab00443776-07

68. A808971

69. Sr-01000830710

70. Q-100175

71. Sr-01000830710-3

72. Q27887010

73. 5-oxopyrrolidine-2-carboxylic Acid;dl-pyroglutamic Acid

74. F2190-0001

75. Z1213726397

76. 2027729e-091c-4f23-87aa-2d40d8a5c67c

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₅H₇NO₃
Molecular Weight	129.11 g/mol
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	129.042593085 g/mol
Monoisotopic Mass	129.042593085 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	154
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1