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    CAS 6081-61-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6081-61-4, N-cbz-d-serine, Cbz-d-ser-oh, N-carbobenzoxy-d-serine, Z-d-serine, N-benzyloxycarbonyl-d-serine
    Molecular Formula
    C11H13NO5
    Molecular Weight
    239.22  g/mol
    InChI Key
    GNIDSOFZAKMQAO-SECBINFHSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid
    2.1.2 InChI
    InChI=1S/C11H13NO5/c13-6-9(10(14)15)12-11(16)17-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)/t9-/m1/s1
    2.1.3 InChI Key
    GNIDSOFZAKMQAO-SECBINFHSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)COC(=O)NC(CO)C(=O)O
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)COC(=O)N[C@H](CO)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 6081-61-4

    2. N-cbz-d-serine

    3. Cbz-d-ser-oh

    4. N-carbobenzoxy-d-serine

    5. Z-d-serine

    6. N-benzyloxycarbonyl-d-serine

    7. (r)-2-(((benzyloxy)carbonyl)amino)-3-hydroxypropanoic Acid

    8. D-serine, N-[(phenylmethoxy)carbonyl]-

    9. Chembl245258

    10. (2r)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic Acid

    11. Cbz-d-serine

    12. Benzyloxycarbonyl-d-serine

    13. Mfcd00063144

    14. (r)-cbz-serine

    15. Carbobenzyloxy-d-serine

    16. Schembl295865

    17. ((benzyloxy)carbonyl)-d-serine

    18. (r)-n-(benzyloxycarbonyl)serine

    19. (2r)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxypropanoic Acid

    20. Bdbm50389010

    21. Zinc82067922

    22. Akos016842340

    23. Akos025117329

    24. Akos030228106

    25. Am82212

    26. Cs-w012820

    27. Hy-w012104

    28. Ac-17150

    29. As-12752

    30. 081z614

    31. A832902

    32. J-300244

    33. (2r)-2-benzyloxycarbonylamino-3-hydroxypropionic Acid

    34. (2r)-2-(benzyloxycarbonylamino)-3-hydroxy-propanoic Acid

    35. (2r)-3-hydroxy-2-[(phenylmethoxy)carbonylamino]propanoic Acid

    36. (r)-2-(benzyloxycarbonylamino)-3-hydroxypropanoic Acid

    37. (r)-2-benzyloxycarbonylamino-3-hydroxy-propionic Acid

    2.3 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 239.22 g/mol
    Molecular Formula C11H13NO5
    XLogP30.4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass239.07937252 g/mol
    Monoisotopic Mass239.07937252 g/mol
    Topological Polar Surface Area95.9 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity263
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1