Cas no 56145-94-9 ((2s)-2-[(2-hydroxybenzoyl)amino]butanedioic Acid)

(2s)-2-[(2-hydroxybenzoyl)amino]butanedioic Acid structure
56145-94-9 structure
Product Name:(2s)-2-[(2-hydroxybenzoyl)amino]butanedioic Acid
CAS No:56145-94-9
MF:C11H11NO6
MW:253.208143472672
CID:1596843
PubChem ID:4520077
Update Time:2025-04-21

(2s)-2-[(2-hydroxybenzoyl)amino]butanedioic Acid Chemical and Physical Properties

Names and Identifiers

    • (2s)-2-[(2-hydroxybenzoyl)amino]butanedioic Acid
    • Aspartic acid, N-salicyloyl-
    • salicyloylaspartate
    • L-Aspartic acid, N-(2-hydroxybenzoyl)-
    • BRN 2595187
    • N-(2-Hydroxybenzoyl)-L-aspartic acid
    • AC1MIFYR
    • LS-22115
    • CTK1G9835
    • Aspartic acid, N-salicyloyl-; salicyloylaspartate; L-Aspartic acid, N-(2-hydroxybenzoyl)-; BRN 2595187; N-(2-Hydroxybenzoyl)-L-aspartic acid; AC1MIFYR; LS-22115; CTK1G9835;
    • 56145-94-9
    • CHEBI:177489
    • (S)-2-(2-Hydroxybenzamido)succinic acid
    • SCHEMBL18277718
    • Z1465341831
    • N-salicyloyl aspartic acid
    • DTXSID50204677
    • AKOS017547798
    • AKOS020220472
    • SY272657
    • 2-[(2-hydroxyphenyl)formamido]butanedioic acid
    • 2-[(2-hydroxybenzoyl)amino]butanedioic acid
    • Z1465345621
    • SCHEMBL18277717
    • N-Salicyloyl-Aspartic acid
    • CHEBI:169113
    • N-Salicyloylaspartic acid
    • MFCD00157781
    • Inchi: 1S/C11H11NO6/c13-8-4-2-1-3-6(8)10(16)12-7(11(17)18)5-9(14)15/h1-4,7,13H,5H2,(H,12,16)(H,14,15)(H,17,18)/t7-/m0/s1
    • InChI Key: JMJWCANHASMNST-ZETCQYMHSA-N
    • SMILES: OC([C@H](CC(=O)O)NC(C1C=CC=CC=1O)=O)=O

Computed Properties

  • Exact Mass: 253.05863
  • Monoisotopic Mass: 253.05863707g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 342
  • 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: 0.5
  • Topological Polar Surface Area: 124?2

Experimental Properties

  • PSA: 123.93

(2s)-2-[(2-hydroxybenzoyl)amino]butanedioic Acid Pricemore >>

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