Cas no 701907-44-0 ((S)-3-Amino-3-(3-methyl-phenyl)-propionic acid)

(S)-3-Amino-3-(3-methyl-phenyl)-propionic acid is a chiral non-proteinogenic amino acid derivative featuring a phenyl group substituted with a methyl moiety at the meta position. This compound serves as a valuable intermediate in organic synthesis and pharmaceutical research, particularly in the development of peptidomimetics and bioactive molecules. Its stereospecific (S)-configuration ensures precise enantioselective applications, while the aromatic methyl group enhances lipophilicity, influencing binding affinity in target interactions. The carboxylic acid and amino functional groups provide versatile reactivity for further derivatization, making it useful in medicinal chemistry and asymmetric synthesis. High purity and well-defined stereochemistry are critical for its role in producing optically active compounds.
(S)-3-Amino-3-(3-methyl-phenyl)-propionic acid structure
701907-44-0 structure
Product Name:(S)-3-Amino-3-(3-methyl-phenyl)-propionic acid
CAS No:701907-44-0
MF:C10H13NO2
MW:179.215722799301
MDL:MFCD04113692
CID:557326
PubChem ID:6934183
Update Time:2025-05-28

(S)-3-Amino-3-(3-methyl-phenyl)-propionic acid Chemical and Physical Properties

Names and Identifiers

    • (S)-3-Amino-3-(m-tolyl)propanoic acid
    • (S)-?-(m-Tolyl)alanine
    • (S)-3-Amino-3-(3-methylphenyl)propanoic acid
    • (S)-3-Amino-3-(3-methylphenyl)-propionic acid
    • (S)-3-AMINO-3-(3-METHYLPHENYL)PROPIONIC ACID,
    • Benzenepropanoic acid, b-amino-3-methyl-, (bS)-
    • Benzenepropanoic acid, β-amino-3-methyl-, (βS)-
    • (S)-3-Amino-3-(3-methyl-phenyl)propionic acid
    • (s)-3-amino-3-(3-methyl-phenyl)-propanoic acid
    • (s)-3-amino-3-(3-methyl-phenyl)-propionic acid
    • (s)-3-amino-3-m-tolyl-propionic acid
    • h-d-phg(3-me)-(c*ch2)oh
    • S-3-Amino-3-(3-methyl-phenyl)-propionic acid
    • (s)-beta-(m-tolyl)alanine
    • AC-25393
    • AS-38520
    • EN300-1286877
    • (3S)-3-amino-3-(3-methylphenyl)propanoic acid
    • (S)-3-Amino-3-(m-tolyl)propanoicacid
    • MFCD04113692
    • A902154
    • (S)-3-amino-3-(3-methyl-phenyl)-propionic acid, AldrichCPR
    • h-beta-phe(3-me)-oh
    • (s)-3-(m-tolyl)-beta-alanine
    • (s)-3-amino-3-(3-methylphenyl)propionic acid
    • (S)-3-AMINO-3-M-TOLYLPROPANOIC ACID
    • AKOS010393199
    • DTXSID30426158
    • (S)- -(m-Tolyl)alanine
    • 701907-44-0
    • CS-0135740
    • benzenepropanoic acid, beta-amino-3-methyl-, (betas)-
    • (S)-3-Amino-3-(3-methyl-phenyl)-propionic acid
    • MDL： MFCD04113692
    • Inchi： 1S/C10H13NO2/c1-7-3-2-4-8(5-7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
    • InChI Key： HMLYKNGYKKJNLC-VIFPVBQESA-N
    • SMILES： OC(C[C@@H](C1C=CC=C(C)C=1)N)=O

Computed Properties

  • Exact Mass: 179.095
  • Monoisotopic Mass: 179.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 182
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _1
  • Topological Polar Surface Area: 63.3A^2

Experimental Properties

  • Density: 1.163
  • Melting Point: 210-212°C
  • Boiling Point: 322.3°C at 760 mmHg
  • Flash Point: 148.7°C
  • Refractive Index: 1.567
  • PSA: 63.32000
  • LogP: 2.16980

(S)-3-Amino-3-(3-methyl-phenyl)-propionic acid Security Information

(S)-3-Amino-3-(3-methyl-phenyl)-propionic acid Pricemore >>

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