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    59875-04-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Ec 611-909-2, 611-909-2, 59875-04-6, 2-butyrylaminopropionic acid, 2-butyramidopropanoic acid, 55930-29-5
    Molecular Formula
    C7H13NO3
    Molecular Weight
    159.18  g/mol
    InChI Key
    DTIMTCJMOWXMGT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(butanoylamino)propanoic acid
    2.1.2 InChI
    InChI=1S/C7H13NO3/c1-3-4-6(9)8-5(2)7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
    2.1.3 InChI Key
    DTIMTCJMOWXMGT-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Ec 611-909-2

    2. 611-909-2

    3. 59875-04-6

    4. 2-butyrylaminopropionic Acid

    5. 2-butyramidopropanoic Acid

    6. 55930-29-5

    7. 2-butyrylamino Propionic Acid

    8. 2-butyrylaminopropinicacid

    9. 2-(butanoylamino)propanoic Acid

    10. 2-butyrylamino-propionic Acid

    11. (s)-2-butyramidopropanoic Acid

    12. 2-butyryl Amino Propionic Acid

    13. N-(1-oxobutyl)-dl-alanine

    14. 2-((butanoyl)amino)propanoic Acid

    15. 2-butanamidopropanoic Acid

    16. Mfcd08458732

    17. N-(1-oxobutyl)alanine

    18. 2-butyramido Propionic Acid

    19. Schembl5401

    20. Dtimtcjmowxmgt-uhfffaoysa-n

    21. Dtxsid801045005

    22. Bcp25974

    23. Akos000153409

    24. Akos016050959

    25. Sb45407

    26. Ac-15631

    27. Ws-02148

    28. Db-013411

    29. Ns00008425

    30. 2-butyrylamino-propionic Acid (butanoyl-dl-ala-oh)

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 159.18 g/mol
    Molecular Formula C7H13NO3
    XLogP30.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area66.4
    Heavy Atom Count11
    Formal Charge0
    Complexity156
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1