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    BUILDING BLOCK

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    Chemistry

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    Also known as: 946511-97-3, 2-ethylbutyl l-alaninate hydrochloride, L-alanine, 2-ethylbutyl ester, hydrochloride (1:1), Mfcd32660031, 2-ethylbutyl (2s)-2-aminopropanoate;hydrochloride, Remdesivir amino ester compound
    Molecular Formula
    C9H20ClNO2
    Molecular Weight
    209.71  g/mol
    InChI Key
    DEAGOVGXNPHPIJ-FJXQXJEOSA-N
    CAS 946511-97-3
    1 2D Structure

    CAS 946511-97-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-ethylbutyl (2S)-2-aminopropanoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H19NO2.ClH/c1-4-8(5-2)6-12-9(11)7(3)10;/h7-8H,4-6,10H2,1-3H3;1H/t7-;/m0./s1
    2.1.3 InChI Key
    DEAGOVGXNPHPIJ-FJXQXJEOSA-N
    2.1.4 Canonical SMILES
    CCC(CC)COC(=O)C(C)N.Cl
    2.1.5 Isomeric SMILES
    CCC(CC)COC(=O)[C@H](C)N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 946511-97-3

    2. 2-ethylbutyl L-alaninate Hydrochloride

    3. L-alanine, 2-ethylbutyl Ester, Hydrochloride (1:1)

    4. Mfcd32660031

    5. 2-ethylbutyl (2s)-2-aminopropanoate;hydrochloride

    6. Remdesivir Amino Ester Compound

    7. Schembl1273080

    8. L-alanine 2-ethylbutyl Ester Hcl

    9. 2-ethylbutyl L-alaninate Hcl

    10. (s)-2-ethylbutyl 2-aminopropanoate Hcl

    11. L-alanine-2-ethylbutylester Hydrochloride

    12. Bs-45142

    13. Cs-0131407

    14. E1444

    15. (s)-2-ethylbutyl2-aminopropanoatehydrochloride

    16. C91696

    2.3 Create Date
    2009-10-12
    3 Chemical and Physical Properties
    Molecular Weight 209.71 g/mol
    Molecular Formula C9H20ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass209.1182566 g/mol
    Monoisotopic Mass209.1182566 g/mol
    Topological Polar Surface Area52.3 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity133
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    BUILDING BLOCK

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