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Also known as: 147081-44-5, (s)-1-boc-3-aminopyrrolidine, (s)-3-amino-1-n-boc-pyrrolidine, (s)-(-)-1-boc-3-aminopyrrolidine, (s)-tert-butyl 3-aminopyrrolidine-1-carboxylate, (s)-(-)-1-tert-butoxycarbonyl-3-aminopyrrolidine

Molecular Formula

C₉H₁₈N₂O₂

Molecular Weight

186.25 g/mol

InChI Key

CMIBWIAICVBURI-ZETCQYMHSA-N

1 2D Structure

3-Aminopyrrolidine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate

2.1.2 InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/m0/s1

2.1.3 InChI Key

CMIBWIAICVBURI-ZETCQYMHSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CCC(C1)N

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H](C1)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 147081-44-5

2. (s)-1-boc-3-aminopyrrolidine

3. (s)-3-amino-1-n-boc-pyrrolidine

4. (s)-(-)-1-boc-3-aminopyrrolidine

5. (s)-tert-butyl 3-aminopyrrolidine-1-carboxylate

6. (s)-(-)-1-tert-butoxycarbonyl-3-aminopyrrolidine

7. 1-pyrrolidinecarboxylic Acid, 3-amino-, 1,1-dimethylethyl Ester, (3s)-

8. (s)-3-amino-pyrrolidine-1-carboxylic Acid Tert-butyl Ester

9. (3s)-(-)-1-(tert-butoxycarbonyl)-3-aminopyrrolidine

10. (s)-tert-butyl-3-aminopyrrolidine-1-carboxylate

11. Tert-butyl (s)-3-aminopyrrolidine-1-carboxylate

12. (3s)-3-amino-1-(tert-butoxycarbonyl)-pyrrolidine

13. (3s)-(-)-3-amino-1-boc-pyrrolidine

14. (s)-3-amino-n-boc-pyrrolidine

15. S-bocap

16. Mfcd03419271

17. (s)-1-(tert-butoxycarbonyl)-3-aminopyrrolidine

18. Tert-butyl (3s)-3-aminopyrrolidinecarboxylate

19. Schembl322172

20. (3s)-1-boc-3-aminopyrrolidine

21. Dtxsid00357546

22. (s)-1-boc-3-amino-pyrrolidine

23. (s)-(-)-boc-3-aminopyrrolidine

24. (s)-1-n-boc-3-aminopyrrolidine

25. Zinc403624

26. (s)-1-n-boc 3-amino Pyrrolidine

27. Act01700

28. Act03461

29. Cs-d0665

30. (s)-(-)-n-boc-3-aminopyrrolidine

31. (s)-(?)-n-boc-3-aminopyrrolidine

32. Akos015836459

33. (3s)-(-)-1-boc-3-aminopyrrolidine

34. (s)-(-)-1-boc-3-amino Pyrrolidine

35. (s)-(-)-1-boc-3-aminopyrrolidine;

36. Ac-1960

37. Ac-2230

38. Ps-5202

39. Wt82381

40. N1-boc-(3s)-(-)-3 Aminopyrrolidine

41. Am807310

42. Bp-21182

43. Db-031017

44. (3s)-3-amino-1-t-butoxycarbonylpyrrolidine

45. (s)-(-)-1-boc-3-aminopyrrolidine, 95%

46. (s)-n-tert-butoxycarbonyl-3-aminopyrrolidine

47. B2921

48. (s)-3-amino-1-tert-butoxycarbonylpyrrolidine

49. (s)-t-butyl 3-aminopyrrolidine-1-carboxylate

50. En300-89564

51. (s)-1-tert-butyloxycarbonyl-3-aminopyrrolidine

52. (s)-tert-butyl3-aminopyrrolidine-1-carboxylate

53. A26405

54. A66008

55. (3s)-3-amino-1(tert-butoxycarbonyl)pyrrolidine

56. (5)-tert-butyl 3-aminopyrrolidine-1-carboxylate

57. (s)-3-amino-1-(tert-butoxycarbonyl)pyrrolidine

58. (s)-3-amino-1-tertiary Butoxycarbonylpyrrolidine

59. (s)-n-(tert-butoxycarbonyl)-3-aminopyrrolidine

60. Tert-butyl 3-(s)-aminopyrrolidine-1-carboxylate

61. Tert-butyl(3s)-3-aminopyrrolidine-1-carboxylate

62. Tertbutyl (3s)-3-aminopyrrolidine-1-carboxylate

63. 081a445

64. (3s)-(-)-1-(t-butoxycarbonyl)-3-aminopyrrolidine

65. Q-102155

66. (3s)-(-)-3-amino-1-(tert-butoxycarbonyl)pyrrolidine

67. (3s)-3-amino-1-(tert-butoxycarbonyl)pyrrolidine

68. 1,1-dimethylethyl (3s)-3-amino-1-pyrrolidinecarboxylate

69. 3(s)-aminopyrrolidine-1-carboxylic Acid Tert-butyl Ester

70. (s)-3-aminopyrrolidine-1-carboxylic Acid Tert-butyl Ester

71. (s)-3-aminopyrrolidine-1-carboxylic Acid-tert-butyl Ester

72. 1,1-dimethylethyl (3s)-3-amino-pyrrolidine-1-carboxylate

73. 1,1-dimethylethyl (3s)-3-aminopyrrolidine -1-carboxylate

74. 1,1-dimethylethyl (3s)-3-aminopyrrolidine-1-carboxylate

75. (s)-(-)-3-amino-pyrrolidine-1-carboxylic Acid Tert-butyl Ester

76. (s)-tert-butyl 3-aminopyrrolidine-1-carboxylate;(s)-(-)-1-boc-3-aminopyrrolidine

2.3 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₈N₂O₂
Molecular Weight	186.25 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	186.136827821 g/mol
Monoisotopic Mass	186.136827821 g/mol
Topological Polar Surface Area	55.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	198
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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3-Aminopyrrolidine

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