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    Technical details about N-((S)-Ethoxycarbonyl-1-butyl)-(S)-alanine, learn more about the structure, uses, toxicity, action, side effects and more

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    N-[(S)-ETHOXYCARBONYL-1-BUTYL]-(S)-ALANINE

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    2D Structure
    Also known as: 82834-12-6, N-[(s)-1-carbethoxy-1-butyl]-(s)-alanine, N-[(s)-1-carbethoxybutyl]-(s)-alanine, N-[(s)-ethoxycarbonyl-1-butyl]-(s)-alanine, N-[(s)-1-carbethoxy-1-butyl]-l-alanine, (2s)-2-[[(2s)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
    Molecular Formula
    C10H19NO4
    Molecular Weight
    217.26  g/mol
    InChI Key
    AUVAVXHAOCLQBF-YUMQZZPRSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
    2.1.2 InChI
    InChI=1S/C10H19NO4/c1-4-6-8(10(14)15-5-2)11-7(3)9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)/t7-,8-/m0/s1
    2.1.3 InChI Key
    AUVAVXHAOCLQBF-YUMQZZPRSA-N
    2.1.4 Canonical SMILES
    CCCC(C(=O)OCC)NC(C)C(=O)O
    2.1.5 Isomeric SMILES
    CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 82834-12-6

    2. N-[(s)-1-carbethoxy-1-butyl]-(s)-alanine

    3. N-[(s)-1-carbethoxybutyl]-(s)-alanine

    4. N-[(s)-ethoxycarbonyl-1-butyl]-(s)-alanine

    5. N-[(s)-1-carbethoxy-1-butyl]-l-alanine

    6. (2s)-2-[[(2s)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic Acid

    7. L-norvaline, N-[(1s)-1-carboxyethyl]-, 1-ethyl Ester

    8. ((s)-1-ethoxy-1-oxopentan-2-yl)-l-alanine

    9. N-((s)-1-carbethoxybutyl)-(s)-alanine

    10. N-((s)-1-carbethoxy-1-butyl)-(s)-alanine

    11. Mfcd07782126

    12. (2s)-2-{[(2s)-1-ethoxy-1-oxopentan-2-yl]amino}propanoic Acid

    13. Schembl300278

    14. Amy3398

    15. Dtxsid50434230

    16. Zinc9489237

    17. Akos015892676

    18. N-((s)-1-carbethoxybutyl)-l-alanine

    19. N-((s)-1-carbetoxybutyl)-(s)-alanine

    20. As-70546

    21. Hy-20303

    22. N-(1-(s)-ethoxycarbonylbutyl)-l-alanine

    23. Cs-0003964

    24. (s)-n-[(s)-1-(ethoxycarbonyl)butyl]alanine

    25. F14491

    26. N-[1-(s)-ethoxycarbonyl-1-butyl]-(s)-alanine

    27. 834e126

    28. N-[(2s)-1-ethoxy-1-oxo-2-pentanyl]-l-alanine

    29. N-[(2s)-1-ethoxy-1-oxopentan-2-yl]-l-alanine

    30. N-[(s)-1-ethoxy-1-oxopentane-2-yl]-l-alanine

    31. Q-201439

    32. (s)-2-((s)-1-ethoxy-1-oxopentan-2-ylamino)propanoic Acid

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 217.26 g/mol
    Molecular Formula C10H19NO4
    XLogP3-0.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count8
    Exact Mass217.13140809 g/mol
    Monoisotopic Mass217.13140809 g/mol
    Topological Polar Surface Area75.6 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity218
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1