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    CAS 62062-65-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 62062-65-1, 39825-33-7, (s)-isopropyl 2-aminopropanoate hydrochloride, H-ala-oipr.hcl, H-ala-oipr hcl, (s)-isopropyl 2-aminopropanoate hcl
    Molecular Formula
    C6H14ClNO2
    Molecular Weight
    167.63  g/mol
    InChI Key
    YAQKNCSWDMGPOY-JEDNCBNOSA-N
    FDA UNII
    XE5BV8F75L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    propan-2-yl (2S)-2-aminopropanoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
    2.1.3 InChI Key
    YAQKNCSWDMGPOY-JEDNCBNOSA-N
    2.1.4 Canonical SMILES
    CC(C)OC(=O)C(C)N.Cl
    2.1.5 Isomeric SMILES
    C[C@@H](C(=O)OC(C)C)N.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    XE5BV8F75L
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 62062-65-1

    2. 39825-33-7

    3. (s)-isopropyl 2-aminopropanoate Hydrochloride

    4. H-ala-oipr.hcl

    5. H-ala-oipr Hcl

    6. (s)-isopropyl 2-aminopropanoate Hcl

    7. Isopropyl L-alaninate Hydrochloride

    8. Xe5bv8f75l

    9. Alanine, 1-methylethyl Ester, Hydrochloride

    10. Propan-2-yl (2s)-2-aminopropanoate;hydrochloride

    11. (s)-2-aminopropionic Acid Isopropyl Ester Hydrochloride

    12. (s)-isopropyl-2-aminopropanoate Hydrochloride

    13. Propan-2-yl (2s)-2-aminopropanoate Hydrochloride

    14. H-ala-oipr Hydrochloride

    15. Mfcd08059709

    16. Isopropyl L-alanine Hydrochloride

    17. Isopropyl (2s)-2-aminopropanoate Hydrochloride

    18. H-ala-oiprhc

    19. L-alanine Isopropylester Hydrochloride

    20. Unii-xe5bv8f75l

    21. Ec 692-724-4

    22. Schembl215571

    23. Amy852

    24. Dtxsid10960388

    25. Iso-propyl Alaninate Hydrochloride

    26. Dtxsid001347097

    27. 39825-33-7 (non-salt)

    28. Akos016016046

    29. Ac-8641

    30. Cs-w019924

    31. Gs-5932

    32. L-alanine Iso-propyl Ester Hydrochloride

    33. Ac-29152

    34. (s)-isopropyl2-aminopropanoatehydrochloride

    35. Isopropyl (s)-2-aminopropionate Hydrochloride

    36. M02938

    37. Propan-2-yl Alaninate--hydrogen Chloride (1/1)

    38. 825h337

    39. A854791

    40. L-alanine, 1-methylethyl Ester, Hydrochloride

    41. L-alanine, 1-methylethyl Ester, Hydrochloride (1:1)

    2.4 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 167.63 g/mol
    Molecular Formula C6H14ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass167.0713064 g/mol
    Monoisotopic Mass167.0713064 g/mol
    Topological Polar Surface Area52.3 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity101
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2