Tert-Butyl (3R)-3-Aminopyrrolidine-1-Carboxylate

1. Also known as: 147081-49-0, (r)-3-amino-1-n-boc-pyrrolidine, (r)-1-boc-3-aminopyrrolidine, Tert-butyl (3r)-3-aminopyrrolidine-1-carboxylate, (r)-tert-butyl 3-aminopyrrolidine-1-carboxylate, (r)-(+)-n-boc-3-aminopyrrolidine

Molecular Formula

C₉H₁₈N₂O₂

Molecular Weight

186.25 g/mol

InChI Key

CMIBWIAICVBURI-SSDOTTSWSA-N

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl (3R)-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-/m1/s1

2.1.3 InChI Key

CMIBWIAICVBURI-SSDOTTSWSA-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. 147081-49-0

2. (r)-3-amino-1-n-boc-pyrrolidine

3. (r)-1-boc-3-aminopyrrolidine

4. Tert-butyl (3r)-3-aminopyrrolidine-1-carboxylate

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

6. (r)-(+)-n-boc-3-aminopyrrolidine

7. (3r)-3-amino-1-(tert-butoxycarbonyl)pyrrolidine

8. 1-pyrrolidinecarboxylic Acid, 3-amino-, 1,1-dimethylethyl Ester, (3r)-

9. (r)-n-boc-3-aminopyrrolidine

10. (r)-3-amino-pyrrolidine-1-carboxylic Acid Tert-butyl Ester

11. (3r)-(+)-1-(tert-butoxycarbonyl)-3-aminopyrrolidine

12. (r)-tert-butyl3-aminopyrrolidine-1-carboxylate

13. R-bocap

14. Mfcd03419272

15. (r)-3-amino-n-boc-pyrrolidine

16. (r)-3-amino-1-boc-pyrrolidine

17. Tert-butyl (3r)-3-aminopyrrolidinecarboxylate

18. Tert-butyl (r)-3-aminopyrrolidine-1-carboxylate

19. (3r)-3-amino-1-(tert-butoxycarbonyl)-pyrrolidine

20. R-n-boc-3-amino Pyrrolidine

21. Schembl241779

22. 1-boc-4(r)-aminopyrrolidine

23. Amy924

24. (r)-3-amino-1-n-bocpyrrolidine

25. Dtxsid00933026

26. (r)-1-n-boc-3-aminopyrrolidine

27. 1-n-boc-3-(r)-aminopyrrolidine

28. Zinc403623

29. (r)-1-n-boc 3-amino Pyrrolidine

30. (r)-3-amino-1-n-boc Pyrrolidine

31. Act03418

32. Bcp10029

33. (r)-(-)-n-boc-3-aminopyrrolidine

34. (r)-(+)-1-tboc-3-aminopyrrolidine

35. (r)-(+)-n-boc-3-amino Pyrrolidine

36. Akos005146096

37. Akos007930888

38. (3r)-(+)-1-boc-3-aminopyrrolidine

39. Cs-w008684

40. (3r)-(+)-3-amino-1-boc-pyrrolidine

41. As-44392

42. Bp-21177

43. (r)-3-aminopyrrolidine, N1-boc Protected

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

45. (r)-(+)-1-boc-3-aminopyrrolidine, 97%

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

47. 1-tert-butoxycarbony-3(r)-amino-pyrrolidine

48. B2920

49. (r)-3-amino-1-tert-butoxycarbonylpyrrolidine

50. En300-89565

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

52. (r)-3-amino-n-(t-butoxycarbonyl)-pyrrolidine

53. A26404

54. A66009

55. (r)-1-(tert-butoxycarbonyl)-3-aminopyrrolidine

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

57. Tert-butyl(r)-3-amino-pyrrolidine-1-carboxylate

58. (r)-(+)-n-tert-butoxycarbonyl-3-aminopyrrolidine

59. 081a490

60. Tert-butyl (3r)-3-amino-1-pyrrolidinecarboxylate

61. Tert-butyl (r)-3-amino-pyrrolidine-1-carboxylate

62. (r)-(+)-1-(tert-butoxycabonyl)-3-aminopyrrolidine

63. Q-102156

64. Tert. Butyl (r)-3-amino-pyrrolidine-1-carboxylate

65. (3r)-(+)-3-amino-1-(tert-butoxycarbonyl)pyrrolidine

66. (r)-(+)-1-(tert-butoxycarbonyl)-3-aminopyrrolidine

67. (r)-(+)-tert-butyl 3-aminopyrrolidine-1-carboxylate

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

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

70. (r)-3-amino-1-pyrrolidinecarboxylic Acid, 1,1-dimethylethyl Ester

71. (r)-tert-butyl 3-aminopyrrolidine-1-carboxylate;(r)-1-boc-3-aminopyrrolidine Citrate

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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Chemistry

Manufacturers/Suppliers

1 Suppliers

Tert-Butyl (3R)-3-Aminopyrrolidine-1-Carboxylate