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    CAS 13726-69-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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