Cas no 31571-69-4 (L-Aspartic acid,3-methyl-)

L-Aspartic acid,3-methyl- structure
L-Aspartic acid,3-methyl- structure
Product Name:L-Aspartic acid,3-methyl-
CAS No:31571-69-4
MF:C5H9NO4
MW:147.129261732101
CID:307867
PubChem ID:852
Update Time:2025-04-19

L-Aspartic acid,3-methyl- Chemical and Physical Properties

Names and Identifiers

    • L-Aspartic acid,3-methyl-
    • (2S,3S)-2-amino-3-methylbutanedioate
    • (+/-)-threo-3-methylaspartic acid
    • (+-)-threo-2-Amino-3-methyl-bernsteinsaeure
    • (+-)-threo-2-amino-3-methyl-succinic acid
    • (+-)-threo-3-Amino-2-methyl-bernsteinsaeure
    • 2-AMINO-3-METHYLSUCCINIC ACID
    • DL-3-Me-Asp-OH
    • DL-3-Methylaspartic acid
    • Dl-aspartic acid, 3-methyl-
    • Nsc 45365
    • threo-3-methylaspartic acid
    • 31571-69-4
    • b-methylaspartic acid
    • (2S, 3S)-3-methylaspartate
    • LXRUAYBIUSUULX-UHFFFAOYSA-N
    • MFCD00037770
    • EN300-224994
    • DL-threo-
    • DL-threo-b-Methylaspartic acid
    • UNII-T38VAO1ARZ
    • NSC-139985
    • T38VAO1ARZ
    • HY-W017501
    • NSC203789
    • NSC-45365
    • DL-Aspartic acid, 3-methyl
    • A8975
    • L-threo-3-methyl-aspartate
    • A-Methylaspartic acid
    • FT-0652773
    • bmse000352
    • .BETA.-METHYL-DL-ASPARTIC ACID
    • 3-Methyl-DL-aspartic acid
    • SCHEMBL87358
    • DTXSID601346473
    • AKOS003382837
    • Aspartic acid, 3-methyl-
    • NSC-203789
    • D83126
    • 1114-07-4
    • NSC45365
    • 2-Amino-3-methylsuccinicacid
    • DL-beta-METHYLASPARTIC ACID
    • DL-threo--Methylaspartic acid
    • NSC139985
    • DL-threo-beta-Methylaspartic acid
    • 3-methylaspartate
    • CS-W018217
    • beta-methylaspartate
    • 2-amino-3-methylbutanedioic acid
    • 3-methyl-D,L-aspartic acid
    • 6667-60-3
    • Inchi: 1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)
    • InChI Key: LXRUAYBIUSUULX-UHFFFAOYSA-N
    • SMILES: OC(C(C)C(C(=O)O)N)=O

Computed Properties

  • Exact Mass: 147.05317
  • Monoisotopic Mass: 147.053158
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 156
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 101
  • XLogP3: -3.3

Experimental Properties

  • Density: 1.404
  • Boiling Point: 259.2°Cat760mmHg
  • Flash Point: 110.6°C
  • PSA: 100.62
  • LogP: -0.18070
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