CAS 13726-69-7

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4 End Use APIs
23 Related Intermediates

Chemistry

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Also known as: 13726-69-7, Boc-hyp-oh, Boc-l-hydroxyproline, Boc-trans-4-hydroxy-l-proline, N-boc-trans-4-hydroxy-l-proline, Boc-hydroxyproline

Molecular Formula

C₁₀H₁₇NO₅

Molecular Weight

231.25 g/mol

InChI Key

BENKAPCDIOILGV-RQJHMYQMSA-N

FDA UNII

RC99P5B8IG

1 2D Structure

CAS 13726-69-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7+/m1/s1

2.1.3 InChI Key

BENKAPCDIOILGV-RQJHMYQMSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)O

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

RC99P5B8IG

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 13726-69-7

2. Boc-hyp-oh

3. Boc-l-hydroxyproline

4. Boc-trans-4-hydroxy-l-proline

5. N-boc-trans-4-hydroxy-l-proline

6. Boc-hydroxyproline

7. (4r)-1-(tert-butoxycarbonyl)-4-hydroxy-l-proline

8. N-boc-(2s,4r)-4-hydroxyproline

9. Trans-n-(tert-butoxycarbonyl)-4-hydroxy-l-proline

10. Rc99p5b8ig

11. Trans-n-boc-4-hydroxy-l-proline

12. (2s,4r)-1-[(tert-butoxy)carbonyl]-4-hydroxypyrrolidine-2-carboxylic Acid

13. (2s,4r)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid

14. 1,2-pyrrolidinedicarboxylic Acid, 4-hydroxy-, 1-(1,1-dimethylethyl) Ester, (2s,4r)-

15. Trans-1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic Acid

16. Mfcd00053370

17. 946610-68-0

18. Boc-l-trans-4-hydroxyproline

19. Unii-rc99p5b8ig

20. Boc-trans-hydroxy-l-proline

21. (2s,4r)-1-tert-butyl 4-hydroxy-1,2-pyrrolidinecarboxylate

22. Nsc-343720

23. 1-(tert-butoxycarbonyl)-4-hydroxyproline

24. N-boc-hydroxyproline

25. N-boc-4-hydroxy-l-proline, Trans-

26. Nsc 343720

27. N-boc-hydroxy Proline

28. N-(tert-butoxycarbonyl)hydroxy-l-proline

29. Boc-4(r)-hydroxyproline

30. N-boc-l-hydroxy-proline

31. Boc Trans-4-hydroxyproline

32. Boc-(2s,4r)-hydroxyproline

33. N-boc Trans-4-hydroxyproline

34. Trans-1-(tert-butoxycarbonyl)-4-hydroxy-l-proline

35. Schembl116439

36. Trans 4-hydroxy L-boc-proline

37. Zinc57566

38. (2s,4r)-n-boc-4-hydroxyproline

39. (4r)-1-boc-4-hydroxy-l-proline

40. Cs-m3078

41. Hy-i0781

42. Str07822

43. 1-t-butoxycarbonyl-l-hydroxy-proline

44. Ac-141

45. Akos000277290

46. Akos015836539

47. N-(tert-butoxycarbonyl)-hydroxyproline

48. N-tert-butoxycarbonyl-l-hydroxyproline

49. Boc-hyp-oh, >=98.0% (tlc)

50. N-tert-butoxycarbonyl(4r)-hydroxyproline

51. Ts-00615

52. N-tert-butoxycarbonyl (4r)-hydroxyproline

53. Am20080277

54. N-t-butoxycarbonyl-trans-4-hydroxy-l-proline

55. Trans-1-t-butoxycarbonyl-4-hydroxy-l-proline

56. M03213

57. N-tert-butoxycarbonyl-trans-4-hydroxy-l-proline

58. Trans-4-hydroxy-n-tert-butoxycarbonyl-l-proline

59. (4r)-(tert-butoxycarbonyl)-4-hydroxy-l-proline

60. N-tert-butoxycarbonyl-(2s,4r)-4-hydroxyproline

61. As-813/43496108

62. N-(tert-butyloxycarbonyl)-4-hydroxyproline

63. N-boc-4-hydroxy-l-proline, (4r)-(-)-

64. N-tert-butyloxycarbonyl-trans-4-hydroxy-l-proline

65. (4r)-1-(tert-butoxy Carbonyl)-4-hydroxy-l-proline

66. A1-00438

67. Boc-l-hydroxyproline;boc-trans-4-hydroxy-l-proline

68. J-300152

69. Q-101690

70. (4r)-1-(tert-butyloxycarbonyl)-4-hydroxy-l-proline

71. Q27288047

72. (2s,4r)-1-t-butoxycarbonyl-2-carboxy-4-hydroxypyrrolidine

73. (2s, 4r)-1-t-butoxycarbonyl-4-hydroxy-2-pyrrolidinecarboxylic Acid

74. (2s,4r)-1-(tert-butoxycarbonyl)-2-carboxy-4-hydroxypyrrolidine

75. Boc-(2s,4r)-(-)-4-hydroxypyrrolidine-2-carboxylic Acid

76. Trans-1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylicacid

77. (2s, 4r)-1-(t-butoxycarbonyl)-4-hydroxy-2-pyrrolidinecarboxylic Acid

78. (2s, 4r)-1-(tert-butoxycarbonyl)-4-hydroxy-2-pyrrolidinecarboxylic Acid

79. (2s,4r) 4-hydroxy-pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester

80. (2s,4r)-1-(tert-butoxycarbonyl)-4-hydroxy-2-pyrrolidinecarboxylic Acid

81. (2s,4r)-1-(tert-butoxycarbonyl)-4-hydroxy-pyrrolidine-2-carboxylic Acid

82. (2s,4r)-4-hydroxy-1-(t-butoxycarbonyl)-2-pyrrolidinecarboxylic Acid

83. (2s,4r)-4-hydroxy-pyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester

84. 1-(t-butoxycarbonyl)-(2s,4r)-4-hydroxy-2-pyrrolidinecarboxylic Acid

85. (2s,4r)-4-hydroxypyrrolidine-1,2-dicarboxylic Acid 1-tert-butyl Ester

86. 1,2-pyrrolidinedicarboxylic Acid, 4-hydroxy-, 1-(1,1-dimethylethyl) Ester, (2s-trans)-

2.4 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₇NO₅
Molecular Weight	231.25 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	231.11067264 g/mol
Monoisotopic Mass	231.11067264 g/mol
Topological Polar Surface Area	87.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	296
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1