CAS 15761-39-4

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2 End Use APIs
6 Related Intermediates

Chemistry

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Also known as: 15761-39-4, Boc-pro-oh, N-(tert-butoxycarbonyl)-l-proline, N-boc-l-proline, (s)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid, Boc-l-pro-oh

Molecular Formula

C₁₀H₁₇NO₄

Molecular Weight

215.25 g/mol

InChI Key

ZQEBQGAAWMOMAI-ZETCQYMHSA-N

1 2D Structure

CAS 15761-39-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1

2.1.3 InChI Key

ZQEBQGAAWMOMAI-ZETCQYMHSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)O

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 15761-39-4

2. Boc-pro-oh

3. N-(tert-butoxycarbonyl)-l-proline

4. N-boc-l-proline

5. (s)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic Acid

6. Boc-l-pro-oh

7. N-(tert-butyloxycarbonyl)-l-proline

8. Tert-butoxycarbonyl-l-proline

9. 1-tert-butoxycarbonyl-l-proline

10. N-tert-butoxycarbonylproline

11. Tert-butyloxycarbonyl-l-proline

12. 1-tert-butyloxycarbonyl-l-proline

13. (2s)-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic Acid

14. Nsc 164660

15. Boc-l-pro

16. Tert-butoxycarbonylproline

17. 1-(tert-butoxycarbonyl)-l-proline

18. 1,2-pyrrolidinedicarboxylic Acid, 1-(1,1-dimethylethyl) Ester, (s)-

19. 1,2-pyrrolidinedicarboxylic Acid, 1-(1,1-dimethylethyl) Ester, (2s)-

20. (tert-butoxycarbonyl)-l-proline

21. 1,2-pyrrolidinedicarboxylic Acid, 1-tert-butyl Ester, L-

22. Mfcd00037324

23. (s)-pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester

24. N-alpha-t-butyloxycarbonyl-l-proline

25. Boc-prolin

26. Boc-proline

27. Boc Proline

28. Bocprooh

29. (2s)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid

30. N-boc Proline

31. T-boc-l-proline

32. Boc-(s)-proline

33. N-boc L-proline

34. N-boc-proline

35. Boc-prooh

36. (s)-boc Proline

37. Boc-(l)-proline

38. Einecs 239-848-3

39. T-butoxycarbonylproline

40. (s)-n-boc-proline

41. N-boc-(l)-proline

42. N-boc-l-pro-oh

43. Boc-pro

44. T-butoxycarbonyl Proline

45. N-t-butoxycarbonylproline

46. T-butyloxycarbonyl-proline

47. Boc-pro-oh, 99%

48. N-tert-butoxycarbonylprolin

49. (s)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylicacid

50. N-boc-(s)-proline

51. T-butyloxycarbonyl-l-proline

52. Schembl67044

53. Mls000862862

54. N-t-butyloxycarbonyl-l-proline

55. Tert-butoxycarbonylproline, L-

56. N-(t-butoxycarbonyl)-l-proline

57. N-t-butoxycarbonyl-(s)-proline

58. N-tert-butoxycarbonyl L-proline

59. N-tert-butoxycarbonyl-l-proline

60. Chembl1221957

61. Zinc56436

62. (s)-n-tert-butoxycarbonylproline

63. 1-(tert-butyl) Hydrogen (s)-pyrrolidine-1,2-dicarboxylate

64. Dtxsid00884847

65. Upcmld00wgw001:001

66. Hms2212b13

67. N-tert-butoxycarbonyl-(l)-proline

68. Act05614

69. Bcp13539

70. N-t-butoxycarbonyl-l-proline

71. N-tert-butoxycarbonylproline, (s)-

72. (s)-n-(tert-butoxycarbonyl)-proline

73. N-(tert-butoxycarbonyl)-(l)-proline

74. Akos000281182

75. Akos005258729

76. 1-(tert-butoxycarbonyl)proline, (l)-

77. Boc-pro-oh, >=99.0% (t)

78. Cs-w019862

79. N-(tert-butyloxycarbonyl)-(s)-proline

80. Ncgc00165407-01

81. Ac-17113

82. As-11199

83. Smr000472111

84. N-(tert-butyloxycarbonyl)-d-proline

85. Am20080415

86. B1188

87. M03314

88. 1-{[(1,1-dimethylethyl)oxy]carbonyl}-l-proline

89. 761b394

90. J-300222

91. Q-101638

92. (s)pyrrolidine-1,2-dicarboxylic Acid Tert Butyl Ester

93. Pyrrolidine-1,2(s)-dicarboxylic Acid 1-t-butyl Ester

94. (2s)-pyrrolidine-1,2-dicarboxylic Acid-1-t-butylester

95. (s)-pyrrolidine-1,2-dicarboxylic Acid 1-tertbutyl Ester

96. (s)pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester

97. F0001-2357

98. Z1245635754

99. (5)-1-(tert-butoxycarbonyl)-pyrrolidine-2-carboxylic Acid

100. (5)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic Acid

101. (s)-1-(tert-butoxycarbonyl) Pyrrolidine-2-carboxylic Acid

102. (s)-1-(tert-butoxycarbonyl)-pyrrolidine-2-carboxylic Acid

103. (s)-pyrrolidine-1,2-dicarboxylic Acid-1-tert-butyl Ester

104. (2s)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-carboxylic Acid

105. N-(tert-butoxycarbonyl)-l-proline; (s)-1,2-pyrrolidinedicarboxylic Acid 1-(1,1-dimethylethyl) Ester

2.3 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₇NO₄
Molecular Weight	215.25 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	215.11575802 g/mol
Monoisotopic Mass	215.11575802 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	269
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