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    CAS 57591-61-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 57591-61-4, (r)-methyl 2-amino-2-(4-hydroxyphenyl)acetate hydrochloride, D-4-hydroxyphenylglycine methyl ester hcl, D-4-hydroxyphenylglycine methyl ester hydrochloride, (r)-amino-(4-hydroxyphenyl)acetic acid methyl ester hcl, (r)-methyl 2-amino-2-(4-hydroxyphenyl)acetate hcl
    Molecular Formula
    C9H12ClNO3
    Molecular Weight
    217.65  g/mol
    InChI Key
    UYCKVJUNDXPDJH-DDWIOCJRSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2R)-2-amino-2-(4-hydroxyphenyl)acetate;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H11NO3.ClH/c1-13-9(12)8(10)6-2-4-7(11)5-3-6;/h2-5,8,11H,10H2,1H3;1H/t8-;/m1./s1
    2.1.3 InChI Key
    UYCKVJUNDXPDJH-DDWIOCJRSA-N
    2.1.4 Canonical SMILES
    COC(=O)C(C1=CC=C(C=C1)O)N.Cl
    2.1.5 Isomeric SMILES
    COC(=O)[C@@H](C1=CC=C(C=C1)O)N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 57591-61-4

    2. (r)-methyl 2-amino-2-(4-hydroxyphenyl)acetate Hydrochloride

    3. D-4-hydroxyphenylglycine Methyl Ester Hcl

    4. D-4-hydroxyphenylglycine Methyl Ester Hydrochloride

    5. (r)-amino-(4-hydroxyphenyl)acetic Acid Methyl Ester Hcl

    6. (r)-methyl 2-amino-2-(4-hydroxyphenyl)acetate Hcl

    7. Methyl (2r)-2-amino-2-(4-hydroxyphenyl)acetate;hydrochloride

    8. Mfcd01862152

    9. Methyl (2r)-2-amino-2-(4-hydroxyphenyl)acetate Hydrochloride

    10. Methyl (2r)-2-amino-2-(4-hydroxyphenyl)acetate,hydrochloride

    11. Schembl1584177

    12. Dtxsid10528780

    13. Akos015893992

    14. Cs-w014809

    15. Gs-4249

    16. Ac-33864

    17. Am20060676

    18. 591a614

    19. A854379

    20. D-p-hydroxyphenylglycine Methyl Ester Hydrochloride

    21. Methyl(r)-amino-(4-hydroxyphenyl)acetate Hydrochloride

    22. Methyl (r)-amino-(4-hydroxyphenyl)acetate Hydrochloride

    23. (r)-methyl2-amino-2-(4-hydroxyphenyl)acetatehydrochloride

    24. Methyl (2r)-amino(4-hydroxyphenyl)acetate--hydrogen Chloride (1/1)

    25. (r)-amino-(4-hydroxyphenyl)acetic Acid Methyl Ester Hydrochloride, 97%

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 217.65 g/mol
    Molecular Formula C9H12ClNO3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass217.0505709 g/mol
    Monoisotopic Mass217.0505709 g/mol
    Topological Polar Surface Area72.6 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity176
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2