Cas no 7611-43-0 (N-{(2R)-2-[(2-amino-2-oxoethyl)amino]-2-carboxyethyl}-L-aspartic acid)

N-{(2R)-2-[(2-amino-2-oxoethyl)amino]-2-carboxyethyl}-L-aspartic acid structure
7611-43-0 structure
Product Name:N-{(2R)-2-[(2-amino-2-oxoethyl)amino]-2-carboxyethyl}-L-aspartic acid
CAS No:7611-43-0
MF:C9H15N3O7
MW:277.231302499771
CID:1781229
PubChem ID:4480504
Update Time:2025-04-21

N-{(2R)-2-[(2-amino-2-oxoethyl)amino]-2-carboxyethyl}-L-aspartic acid Chemical and Physical Properties

Names and Identifiers

    • N-{(2R)-2-[(2-amino-2-oxoethyl)amino]-2-carboxyethyl}-L-aspartic acid
    • N-[2-[(2-Amino-2-oxoethyl)amino]-2-carboxyethyl]-L-aspartic acid
    • AKOS040752799
    • SCHEMBL3188628
    • LYCOMARASMINE [MI]
    • Lycomarasmine B
    • (2S)-2-((2-((2-AMINO-2-OXOETHYL)AMINO)-3-HYDROXY-3-OXOPROPYL)AMINO)BUTANEDIOIC ACID
    • UNII-2GPV4O05ZY
    • (2S)-2-[[2-[(2-amino-2-oxo-ethyl)amino]-2-carboxy-ethyl]amino]butanedioic acid
    • (2S)-2-[[2-[(2-amino-2-oxoethyl)amino]-2-carboxyethyl]amino]butanedioic acid
    • WELKSTOFF
    • 7611-43-0
    • (2S)-2-((2-((2-amino-2-oxo-ethyl)amino)-2-carboxy-ethyl)amino)butanedioic acid
    • Lycomarasmin
    • L-Aspartic acid, N-(2-((2-amino-2-oxoethyl)amino)-2-carboxyethyl)-
    • 2GPV4O05ZY
    • CHEBI:6594
    • Lycomarasmine
    • AC1L9BC7
    • Q27107259
    • C08496
    • N-{2-Carboxy-2-[(2-hydroxy-2-iminoethyl)amino]ethyl}aspartic acid
    • DTXSID90997470
    • Inchi： 1S/C9H15N3O7/c10-6(13)3-12-5(9(18)19)2-11-4(8(16)17)1-7(14)15/h4-5,11-12H,1-3H2,(H2,10,13)(H,14,15)(H,16,17)(H,18,19)
    • InChI Key： YRSDOJQPYZOCMY-UHFFFAOYSA-N
    • SMILES： OC(C(CNC(C(=O)O)CC(=O)O)NCC(N)=O)=O

Computed Properties

  • Exact Mass: 277.09105
  • Monoisotopic Mass: 277.09099983g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 10
  • Complexity: 371
  • 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
  • XLogP3: -7.5
  • Topological Polar Surface Area: 179?2

Experimental Properties

  • Density: 1.4174 (rough estimate)
  • Melting Point: 228°C (rough estimate)
  • Boiling Point: 420.1°C (rough estimate)
  • Refractive Index: 1.4830 (estimate)
  • PSA: 179.05
  • Specific Rotation: D20 -42 to -48° (aq soln at pH 7)

N-{(2R)-2-[(2-amino-2-oxoethyl)amino]-2-carboxyethyl}-L-aspartic acid Related Literature

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