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2D Structure
Also known as: Ec 617-556-0, 1-(1,1-dimethylethyl) (2s)-4-oxo-1,2-pyrrolidinedicarboxylate, 617-556-0, N-boc-4-oxo-l-proline, 84348-37-8, Boc-4-oxo-pro-oh
Molecular Formula
C10H15NO5
Molecular Weight
229.23  g/mol
InChI Key
CKYGSXRXTIKGAJ-ZETCQYMHSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acid
2.1.2 InChI
InChI=1S/C10H15NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h7H,4-5H2,1-3H3,(H,13,14)/t7-/m0/s1
2.1.3 InChI Key
CKYGSXRXTIKGAJ-ZETCQYMHSA-N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. (none)

2.2.2 Depositor-Supplied Synonyms

1. Ec 617-556-0

2. 1-(1,1-dimethylethyl) (2s)-4-oxo-1,2-pyrrolidinedicarboxylate

3. 617-556-0

4. N-boc-4-oxo-l-proline

5. 84348-37-8

6. Boc-4-oxo-pro-oh

7. (s)-1-(tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic Acid

8. Mfcd01860669

9. (2s)-1-tert-butoxycarbonyl-4-oxo-pyrrolidine-2-carboxylic Acid

10. (2s)-1-[(tert-butoxy)carbonyl]-4-oxopyrrolidine-2-carboxylic Acid

11. (2s)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic Acid

12. N-t-boc-4-oxo-l-proline

13. 1-(tert-butoxycarbonyl)-4-oxoproline

14. 1,2-pyrrolidinedicarboxylic Acid, 4-oxo-, 1-(1,1-dimethylethyl) Ester, (2s)-

15. N-tert-boc-4-oxo-l-proline

16. (2s)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-oxo-2-pyrrolidinecarboxylic Acid

17. (2s)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-pyrrolidine-2-carboxylic Acid

18. Boc-l-pro(4-oxo)

19. (s)-4-oxo-pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester

20. N-tert-boc4-oxo-l-proline

21. Schembl204965

22. (2s)-1-tert-butyl Hydrogen 4-oxopyrrolidine-1,2-dicarboxylate

23. N-boc-4-oxo-l-proline, 97%

24. Dtxsid20469135

25. N-boc-4-oxo-l-proline, 98%

26. Chebi:189257

27. Ckygsxrxtikgaj-zetcqymhsa-n

28. Cs-m1682

29. Sbb067204

30. N-tert-butoxycabonyl-4-oxo-l-proline

31. Akos015836547

32. Akos015906952

33. L-(tert-butoxy-carbonyl)-4-oxoproline

34. 1 -(tert-butoxycarbonyl)-4-oxoproline

35. 1-(tert-butoxy-carbonyl)-4-oxoproline

36. Cs-w000198

37. Ps-7731

38. 1-(tert-butoxycarbonyl)-4-oxo-l-proline

39. Ac-22430

40. N-(tert-butoxycarbonyl)-4-oxo-l-proline

41. Sy024343

42. Db-077052

43. B4141

44. En300-67320

45. (s)-1-boc-4-oxo-2-pyrrolidinecarboxylic Acid

46. A840758

47. A842309

48. 1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-oxo-l-proline

49. (2s)-1-(tertbutoxycarbonyl)-4-oxo-2-pyrrolidinecarboxylic Acid

50. (s)-4-oxopyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester

51. (2s)-1-(tert-butoxycarbonyl)-4-oxo-2-pyrrolidine-carboxylic Acid

52. (2s)-1-(tert-butoxycarbonyl)-4-oxo-2-pyrrolidinecar-boxylic Acid

53. (2s)-1-(tert-butoxycarbonyl)-4-oxo-2-pyrrolidinecarboxylic Acid

54. (2s)-4-oxo-pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester

55. (5)-1-(tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic Acid

56. (s)-1-(tert-butoxycarbonyl)-4-oxo-2-pyrrolidinecarboxylic Acid

57. (2s)-1-[(tert-butyl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic Acid

58. (2s)-1-(tert-butoxycarbonyl)-4-oxo-2-pyrrolidinecarboxylic Acid; 1-(tert-butoxycarbonyl)-4-oxo-l-proline; N-tert-butoxycarbonyl-4-keto-l-proline; N-tert-butoxycarbonyl-4-oxo-l-proline

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 229.23 g/mol
Molecular Formula C10H15NO5
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area83.9
Heavy Atom Count16
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1