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CAS 108963-96-8
PharmaCompass
  • Chemistry
CAS 108963-96-8
Also known as: 108963-96-8, Boc-pyr-ome, (s)-1-tert-butyl 2-methyl 5-oxopyrrolidine-1,2-dicarboxylate, Methyl l-n-boc-pyroglutamate, 1-tert-butyl 2-methyl (2s)-5-oxopyrrolidine-1,2-dicarboxylate, Methyl boc-l-pyroglutamate
Molecular Formula
C11H17NO5
Molecular Weight
243.259  g/mol
InChI Key
FNTAOUUEQHKLIU-ZETCQYMHSA-N

1 2D Structure

CAS 108963-96-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
2.1.2 InChI
InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13/h7H,5-6H2,1-4H3/t7-/m0/s1
2.1.3 InChI Key
FNTAOUUEQHKLIU-ZETCQYMHSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)N1C(CCC1=O)C(=O)OC
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N1[C@@H](CCC1=O)C(=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 108963-96-8

2. Boc-pyr-ome

3. (s)-1-tert-butyl 2-methyl 5-oxopyrrolidine-1,2-dicarboxylate

4. Methyl L-n-boc-pyroglutamate

5. 1-tert-butyl 2-methyl (2s)-5-oxopyrrolidine-1,2-dicarboxylate

6. Methyl Boc-l-pyroglutamate

7. Ak-40018

8. Q-101863

9. (s)-5-oxo-pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester 2-methyl Ester

10. 1-(tert-butyl) 2-methyl (s)-5-oxopyrrolidine-1,2-dicarboxylate

11. Boc-pglu-ome

12. Pubchem12135

13. Boc-pyr-ome, 97%

14. Methyl N-boc-l-pyroglutamate

15. N-boc-l-pyroglutamic Acid M

16. Schembl540990

17. Jsp000738

18. Dtxsid10446511

19. Fntaouueqhkliu-zetcqymhsa-n

20. Molport-000-001-473

21. Molport-044-813-080

22. Acn-s002884

23. Act04369

24. Zinc4202561

25. Cb-924

26. Ebd262443

27. Mfcd06809720

28. Sbb062938

29. Akos005145518

30. Ac-5690

31. Cb-3109

32. Cs-w003361

33. Ds-1049

34. Fch3592922

35. Ls40334

36. Or18848

37. Rp28576

38. Ks-0000087u

39. Aj-48452

40. Br-40018

41. Cj-11435

42. H922

43. Kb-48361

44. Sc-14361

45. Sy002655

46. Ab0004680

47. Ax8017481

48. St2412705

49. Ft-0657426

50. M2803

51. X9735

52. Methyl (s)-n-tert-butoxycarbonylpyroglutamate

53. A-2465

54. B35151

55. Methyl N-(tert-butoxycarbonyl)-l-pyroglutamate

56. N-boc-l-methyl Pyroglutamate (configuration S)

57. 811b483

58. Methyl (s)-boc-5-pyrrolidone-2-carboxylate, 97%

59. 1-(tert-butoxycarbonyl)-5-oxo-l-proline Methyl Ester

60. N-(tert-butoxycarbonyl)-l-pyroglutamic Acid Methyl Ester

61. 1-tert-butyl 2-methyl (2s)-5-oxopyrrolidine-1, 2-dicarboxylate

62. Methyl (s)-1-(tert-butoxycarbonyl)-5-oxopyrrolidine-2-carboxylate

63. 1-(1,1-dimethylethyl) 2-methyl (2s)-5-oxo-1,2-pyrrolidine-dicarboxylate

64. 1-(1,1-dimethylethyl) 2-methyl (2s)-5-oxo-1,2-pyrrolidinedicarboxylate

65. (2s)-5-oxo-pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester 2-methyl Ester

66. (s)-1-(tert-butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic Acid Methyl Ester

67. (s)-5-oxopyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester 2-methyl Ester

68. Boc-pyr-ome;1,2-pyrrolidinedicarboxylic Acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-methyl Ester, (2s)-

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 243.259 g/mol
Molecular Formula C11H17NO5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass243.111 g/mol
Monoisotopic Mass243.111 g/mol
Topological Polar Surface Area72.9 A^2
Heavy Atom Count17
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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