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    CAS 86123-95-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 86123-95-7, Boc-o-methyl-d-serine, Boc-o-methyl-d-ser, D-serine, n-[(1,1-dimethylethoxy)carbonyl]-o-methyl-, D-serine, n-[(1,1-dimethylethoxy)carbonyl]-o-methyl- (9ci), (2r)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
    Molecular Formula
    C9H17NO5
    Molecular Weight
    219.23  g/mol
    InChI Key
    RFGMSGRWQUMJIR-ZCFIWIBFSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
    2.1.2 InChI
    InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-14-4)7(11)12/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1
    2.1.3 InChI Key
    RFGMSGRWQUMJIR-ZCFIWIBFSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC(COC)C(=O)O
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N[C@H](COC)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 86123-95-7

    2. Boc-o-methyl-d-serine

    3. Boc-o-methyl-d-ser

    4. D-serine, N-[(1,1-dimethylethoxy)carbonyl]-o-methyl-

    5. D-serine, N-[(1,1-dimethylethoxy)carbonyl]-o-methyl- (9ci)

    6. (2r)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid

    7. (r)-2-(tert-butoxycarbonylamino)-3-methoxypropionic Acid

    8. (r)-2-tert-butoxycarbonylamino-3-methoxy-propionic Acid

    9. N-(tert-butoxycarbonyl)-o-methyl-d-serine

    10. (r)-2-(tert-butoxycarbonylamino)-3-methoxypropanoic Acid

    11. N-boc-o-methyl-d-serine

    12. Mfcd08063987

    13. Schembl527131

    14. Dtxsid70650672

    15. D-serine, N-[(1,1-dimethylethoxy)carbonyl]-o-methyl-(9ci)

    16. Bcp04715

    17. Cs-d0906

    18. Zinc16697274

    19. Akos016843022

    20. Ac-25780

    21. Am808174

    22. Ds-11383

    23. 123b957

    24. A841566

    25. Q-102739

    26. (2r)-2-(tert-butoxycarbonylamino)-3-methoxy-propanoic Acid;(r)-2-((tert-butoxycarbonyl)amino)-3-methoxypropanoic Acid

    2.3 Create Date
    2009-05-28
    3 Chemical and Physical Properties
    Molecular Weight 219.23 g/mol
    Molecular Formula C9H17NO5
    XLogP30.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass219.11067264 g/mol
    Monoisotopic Mass219.11067264 g/mol
    Topological Polar Surface Area84.9 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity233
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1