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    N-Acetyltyrosine

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
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    2D Structure
    Also known as: 2-acetamido-3-(4-hydroxyphenyl)propanoic acid, 2901-77-1, N-acetyl-dl-tyrosine, N-acetyl-4-hydroxyphenylalanine, Nsc10853, Chebi:68561
    Molecular Formula
    C11H13NO4
    Molecular Weight
    223.22  g/mol
    InChI Key
    CAHKINHBCWCHCF-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-acetamido-3-(4-hydroxyphenyl)propanoic acid
    2.1.2 InChI
    InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)
    2.1.3 InChI Key
    CAHKINHBCWCHCF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Acetyl-l-tyrosine

    2. N-acetyltyrosine, (d)-isomer

    3. N-acetyltyrosine, (dl)-isomer

    2.2.2 Depositor-Supplied Synonyms

    1. 2-acetamido-3-(4-hydroxyphenyl)propanoic Acid

    2. 2901-77-1

    3. N-acetyl-dl-tyrosine

    4. N-acetyl-4-hydroxyphenylalanine

    5. Nsc10853

    6. Chebi:68561

    7. 2-acetylamino-3-(4-hydroxy-phenyl)-propionic Acid

    8. Tyrosine, N-acetyl-

    9. Tyrosine, N-acetyl-, L-

    10. Acetyltyrosine

    11. Mfcd00037190

    12. Nsc-10853

    13. Oprea1_187931

    14. Mls004754479

    15. Schembl313539

    16. Chembl1972224

    17. Dtxsid90859468

    18. N-acetyl-4-hydroxyphenylalanine #

    19. Caa90177

    20. Mfcd00063038

    21. Akos000130924

    22. Akos022483808

    23. N-acetyl-dl-tyrosine (ac-dl-tyr-oh)

    24. Ncgc00186643-01

    25. As-12638

    26. Nci60_000201

    27. Smr002530024

    28. Sy006465

    29. Db-052394

    30. Cs-0450637

    31. Ft-0629841

    32. Ft-0698177

    33. Ft-0771426

    34. 2-acetamido-3-(4-hydroxyphenyl)propanoicacid

    35. En300-94385

    36. A876556

    37. Aa-516/30012044

    38. Alpha-(acetylamino)-4-hydroxybenzenepropanoic Acid

    39. 2-(acetylamino)-3-(4-hydroxyphenyl)propanoic Acid

    40. Q27137011

    41. Z1269638416

    42. N-alpha-acetyl-dl-tyrosine;(+/-)-2-acetylamino-3-(4-hydroxyphenyl) Propanoic Acid

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 223.22 g/mol
    Molecular Formula C11H13NO4
    XLogP3-0.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass223.08445790 g/mol
    Monoisotopic Mass223.08445790 g/mol
    Topological Polar Surface Area86.6 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity259
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1