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    Allantoic Acid

    PharmaCompass
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    2D Structure
    Also known as: 99-16-1, Diureidoacetic acid, Acetic acid, bis[(aminocarbonyl)amino]-, 2,2-bis(carbamoylamino)acetic acid, Allantoicacid, Diureidoacetic acid
    Molecular Formula
    C4H8N4O4
    Molecular Weight
    176.13  g/mol
    InChI Key
    NUCLJNSWZCHRKL-UHFFFAOYSA-N
    FDA UNII
    02WGT7SHWJ
    Allantoic acid is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,2-bis(carbamoylamino)acetic acid
    2.1.2 InChI
    InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
    2.1.3 InChI Key
    NUCLJNSWZCHRKL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(C(=O)O)(NC(=O)N)NC(=O)N
    2.2 Other Identifiers
    2.2.1 UNII
    02WGT7SHWJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Allantoic Acid, Monosodium Salt

    2. Diureidoacetic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 99-16-1

    2. Diureidoacetic Acid

    3. Acetic Acid, Bis[(aminocarbonyl)amino]-

    4. 2,2-bis(carbamoylamino)acetic Acid

    5. Allantoicacid

    6. Diureidoacetic Acid

    7. 2,2-diureidoacetic Acid

    8. 02wgt7shwj

    9. Bis((aminocarbonyl)amino)acetic Acid

    10. Bis[(aminocarbonyl)amino]acetic Acid

    11. 102185-22-8

    12. Acetic Acid, Bis((aminocarbonyl)amino)-

    13. Einecs 202-735-4

    14. Allantoic Acid Free Acid

    15. Unii-02wgt7shwj

    16. Oprea1_555230

    17. Bis(carbamoylamino)acetic Acid

    18. Schembl483061

    19. Dtxsid3059187

    20. Chebi:30837

    21. Zinc895265

    22. Cs-d1349

    23. Hy-b1514

    24. Ccg-51209

    25. Mfcd00007949

    26. Akos015837554

    27. Bis[(aminocarbonyl)amino]acetic Acid #

    28. Bs-33442

    29. Db-007241

    30. Ft-0631519

    31. Acetic Acid, 2,2-bis((aminocarbonyl)amino)-

    32. C00499

    33. D86397

    34. Q1067123

    35. Sr-01000640521-1

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 176.13 g/mol
    Molecular Formula C4H8N4O4
    XLogP3-2.6
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass176.05455475 g/mol
    Monoisotopic Mass176.05455475 g/mol
    Topological Polar Surface Area148 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity199
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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