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    3-Amino-3-3-Chlorophenyl-Propanoic Acid

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 68208-21-9, 3-amino-3-(3-chloro-phenyl)-propionic acid, 3-amino-3-(3-chlorophenyl)propionic acid, Dl-beta-(3-chlorophenyl)alanine, 3-(3-chlorophenyl)-dl-beta-alanine, Mfcd00463160
    Molecular Formula
    C9H10ClNO2
    Molecular Weight
    199.63  g/mol
    InChI Key
    LIDRHPCWOYOBIZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-amino-3-(3-chlorophenyl)propanoic acid
    2.1.2 InChI
    InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
    2.1.3 InChI Key
    LIDRHPCWOYOBIZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)Cl)C(CC(=O)O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 68208-21-9

    2. 3-amino-3-(3-chloro-phenyl)-propionic Acid

    3. 3-amino-3-(3-chlorophenyl)propionic Acid

    4. Dl-beta-(3-chlorophenyl)alanine

    5. 3-(3-chlorophenyl)-dl-beta-alanine

    6. Mfcd00463160

    7. 3-amino-3-(3-chlorophenyl)propanoicacid

    8. Oprea1_335677

    9. Oprea1_788492

    10. Dl-ss-(3-chlorophenyl)alanine

    11. Schembl1198080

    12. 3-chloro-d-ec-homophenylglycine

    13. Dtxsid60377341

    14. Albb-007545

    15. Bbl013290

    16. Stk504613

    17. Akos000196938

    18. Akos016045542

    19. Ab06139

    20. Ab17741

    21. Ab17809

    22. 3-(3-chlorophenyl)-beta-alanine

    23. Sy007324

    24. (+/-)-3-(3-chlorophenyl)-beta-alanine

    25. 3-amino-3-(3-chlorophenyl)-propionic Acid

    26. Db-013632

    27. Db-014757

    28. Db-016854

    29. A9098

    30. Cs-0132373

    31. Ft-0614943

    32. Ft-0630329

    33. Ft-0770925

    34. En300-52901

    35. (r)-3-amino-3-(3-chloro-phenyl)-propionicacid

    36. (r,s)-3-amino-(3-3'chlorophenyl)propanoic Acid

    37. Dl-3-amino-3-(3-chloro-phenyl)-propionic Acid

    38. 6r-0641

    39. Z810541796

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 199.63 g/mol
    Molecular Formula C9H10ClNO2
    XLogP3-1.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass199.0400063 g/mol
    Monoisotopic Mass199.0400063 g/mol
    Topological Polar Surface Area63.3 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity187
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1