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    19883-41-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 19883-41-1, H-d-phg-ome hcl, (r)-2-phenylglycine methyl ester hydrochloride, (r)-(-)-2-phenylglycine methyl ester hydrochloride, Methyl (2r)-2-amino-2-phenylacetate hydrochloride, Methyl (2r)-2-amino-2-phenylacetate;hydrochloride
    Molecular Formula
    C9H12ClNO2
    Molecular Weight
    201.65  g/mol
    InChI Key
    DTHMTBUWTGVEFG-DDWIOCJRSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2R)-2-amino-2-phenylacetate;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H11NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h2-6,8H,10H2,1H3;1H/t8-;/m1./s1
    2.1.3 InChI Key
    DTHMTBUWTGVEFG-DDWIOCJRSA-N
    2.1.4 Canonical SMILES
    COC(=O)C(C1=CC=CC=C1)N.Cl
    2.1.5 Isomeric SMILES
    COC(=O)[C@@H](C1=CC=CC=C1)N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 19883-41-1

    2. H-d-phg-ome Hcl

    3. (r)-2-phenylglycine Methyl Ester Hydrochloride

    4. (r)-(-)-2-phenylglycine Methyl Ester Hydrochloride

    5. Methyl (2r)-2-amino-2-phenylacetate Hydrochloride

    6. Methyl (2r)-2-amino-2-phenylacetate;hydrochloride

    7. Mfcd00137487

    8. D-alpha-phenylglycine Methyl Ester Hydrochloride

    9. D-(-)-2-phenylglycine Methyl Ester Hydrochloride

    10. Methyl (r)-2-amino-2-phenylacetate Hydrochloride

    11. [(1r)-2-methoxy-2-oxo-1-phenylethyl]azanium;chloride

    12. D-

    13. A-phenylglycine Methyl Ester Hydrochloride

    14. H-d-phg-ome Hydrochloride

    15. Methyl (2r)-amino(phenyl)acetate Hydrochloride

    16. Schembl1143309

    17. Dthmtbuwtgvefg-ddwiocjrsa-n

    18. Akos015846308

    19. Akos015903224

    20. Cs-w015540

    21. Hy-w014824

    22. Sy020988

    23. (r)-2-phenylglycinemethylesterhydrochloride

    24. (r)-2-phenylglycine Methyl Ester Hcl

    25. Am20060537

    26. P2592

    27. E70004

    28. En300-657365

    29. W-107665

    30. (r)-methyl 2-amino-2-phenylacetate, Hydrochloride Salt

    31. Methyl (r)-(-)-2-amino-2-phenylacetate Hydrochloride

    32. (r)-(-)-2-phenylglycine Methyl Ester Hydrochloride, >=95%

    33. (r)-(-)-2-amino-2-phenylacetic Acid Methyl Ester Hydrochloride

    34. Benzeneacetic Acid, A-amino-, Methyl Ester, Hydrochloride, (ar)-

    2.3 Create Date
    2007-02-07
    3 Chemical and Physical Properties
    Molecular Weight 201.65 g/mol
    Molecular Formula C9H12ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area52.3
    Heavy Atom Count13
    Formal Charge0
    Complexity153
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2