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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

CAS 13726-69-7
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 Weight 231.25 g/mol
Molecular Formula C10H17NO5
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass231.11067264 g/mol
Monoisotopic Mass231.11067264 g/mol
Topological Polar Surface Area87.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity296
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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