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    CAS 2628280-48-6

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    CAS 2628280-48-6
    Also known as: Lpm7gsn5kn, 2628280-48-6, (2s)-2-amino-3-[(3s)-2-oxopyrrolidin-3-yl]propanamide hydrochloride, 3-pyrrolidinepropanamide, alpha-amino-2-oxo-, hydrochloride (1:1), (alphas,3s)-, (2s)-2-amino-3-((3s)-2-oxopyrrolidin-3-yl)propanamide hydrochloride, Unii-lpm7gsn5kn
    Molecular Formula
    C7H14ClN3O2
    Molecular Weight
    207.66  g/mol
    InChI Key
    XMKRXOFRYITIKH-FHAQVOQBSA-N
    FDA UNII
    LPM7GSN5KN
    1 2D Structure

    CAS 2628280-48-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C7H13N3O2.ClH/c8-5(6(9)11)3-4-1-2-10-7(4)12;/h4-5H,1-3,8H2,(H2,9,11)(H,10,12);1H/t4-,5-;/m0./s1
    2.1.3 InChI Key
    XMKRXOFRYITIKH-FHAQVOQBSA-N
    2.1.4 Canonical SMILES
    C1CNC(=O)C1CC(C(=O)N)N.Cl
    2.1.5 Isomeric SMILES
    C1CNC(=O)[C@@H]1C[C@@H](C(=O)N)N.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    LPM7GSN5KN
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Lpm7gsn5kn

    2. 2628280-48-6

    3. (2s)-2-amino-3-[(3s)-2-oxopyrrolidin-3-yl]propanamide Hydrochloride

    4. 3-pyrrolidinepropanamide, Alpha-amino-2-oxo-, Hydrochloride (1:1), (alphas,3s)-

    5. (2s)-2-amino-3-((3s)-2-oxopyrrolidin-3-yl)propanamide Hydrochloride

    6. Unii-lpm7gsn5kn

    7. At31700

    8. Cs-0372248

    2.4 Create Date
    2021-12-15
    3 Chemical and Physical Properties
    Molecular Weight 207.66 g/mol
    Molecular Formula C7H14ClN3O2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass207.0774544 g/mol
    Monoisotopic Mass207.0774544 g/mol
    Topological Polar Surface Area98.2 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity205
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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