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CAS 85909-08-6
Also known as: 85909-08-6, 1-(tert-butoxycarbonyl)-2-pyrrolidinone, Tert-butyl 2-oxo-1-pyrrolidinecarboxylate, N-boc-2-pyrrolidinone, 1-boc-2-pyrrolidinone, N-boc-pyrrolidone
Molecular Formula
C9H15NO3
Molecular Weight
185.22  g/mol
InChI Key
GJJYYMXBCYYXPQ-UHFFFAOYSA-N
FDA UNII
9GS4FVG7EW

1 2D Structure

CAS 85909-08-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl 2-oxopyrrolidine-1-carboxylate
2.1.2 InChI
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-5-7(10)11/h4-6H2,1-3H3
2.1.3 InChI Key
GJJYYMXBCYYXPQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)N1CCCC1=O
2.2 Other Identifiers
2.2.1 UNII
9GS4FVG7EW
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 85909-08-6

2. 1-(tert-butoxycarbonyl)-2-pyrrolidinone

3. Tert-butyl 2-oxo-1-pyrrolidinecarboxylate

4. N-boc-2-pyrrolidinone

5. 1-boc-2-pyrrolidinone

6. N-boc-pyrrolidone

7. N-boc-2-oxopyrrolidine

8. 1-boc-2-oxopyrrolidine

9. Nsc662770

10. 9gs4fvg7ew

11. 1-pyrrolidinecarboxylic Acid, 2-oxo-, 1,1-dimethylethyl Ester

12. 1,1-dimethylethyl 2-oxo-1-pyrrolidinecarboxylate

13. Mfcd00674099

14. Nsc-662770

15. 2-oxo-pyrrolidine-1-carboxylic Acid Tert-butyl Ester

16. Nsc 662770

17. Tert-butyl2-oxopyrrolidine-1-carboxylate

18. 1-(tert-butoxycarbonyl)-2-oxopyrrolidine

19. 1-pyrrolidinecarboxylicacid, 2-oxo-, 1,1-dimethylethyl Ester

20. Unii-9gs4fvg7ew

21. Schembl205421

22. 1-boc-pyrrolidin-2-one

23. Chembl1996540

24. Dtxsid60235235

25. Act05907

26. Bcp32535

27. Cs-m1641

28. Zinc4977458

29. 1-(t-butoxycarbonyl)-2-pyrrolidinone

30. Akos015841632

31. N-boc-1-azacyclopentan-2-one

32. N-tert-butoxycarbonyl-2-oxopyrrolidine

33. Ab06934

34. N-tert-butyloxycarbonyl-2-pyrrolidinone

35. Ss-3403

36. Tert-butyl Oxopyrrolidine-1-carboxylate

37. 1-(tert-butoxy)carbonyl-pyrrolidin-2-one

38. 1-(tert-butoxycarbonyl)pyrrolidine-2-one

39. Ac-24502

40. Amy202003282

41. Nci60_021677

42. Sy030188

43. Tert Butyl-2-oxo-1-pyrrolidinecarboxylate

44. Tert-butyl-2-oxo-1-pyrrolidinecarboxylate

45. Tert.butyl-2-oxo-1-pyrrolidinecarboxylate

46. Pyrrolidin-2-one, N-boc Protected

47. Tert-butyl 2-oxo-pyrrolidine-1-carboxylate

48. Cs-0181165

49. Ft-0652511

50. 1-(tert-butoxycarbonyl)-2-pyrrolidinone, 97%

51. N-(tert-butoxycarbonyl)pyrrolidin-2-one

52. 1-(tert-butoxycarbonyl)pyrrolidin-2-one

53. 2-oxopyrrolidine-1-carboxylic Acid T-butyl Ester

54. 2-oxo-pyrrolidin-1-carboxylic Acid T-butyl Ester

55. N-(tert-butyloxycarbonyl)pyrrolidin-2-one

56. J-524459

57. 1-pyrrolidinecarboxylicacid,2-oxo-,1,1-dimethylethylester

58. 2-oxopyrrolidine-1-carboxylic Acid Tert-butyl Ester

59. Tert-butyl 2-oxopyrrolidine-1-carboxylate;1-boc-2-pyrrolidinone

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 185.22 g/mol
Molecular Formula C9H15NO3
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass185.10519334 g/mol
Monoisotopic Mass185.10519334 g/mol
Topological Polar Surface Area46.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity230
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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