Cas no 53459-31-7 (2-amino-3-(carbamoylamino)oxypropanoic Acid)

2-amino-3-(carbamoylamino)oxypropanoic Acid structure
53459-31-7 structure
Product Name:2-amino-3-(carbamoylamino)oxypropanoic Acid
CAS No:53459-31-7
MF:C4H9N3O4
MW:163.131960630417
CID:938567
PubChem ID:185742
Update Time:2025-04-19

2-amino-3-(carbamoylamino)oxypropanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-amino-3-(carbamoylamino)oxypropanoic Acid
    • NSC 163539
    • (2R)-2-Amino-3-[(carbamoylamino)oxy]propanoate
    • C20651
    • 53459-31-7
    • (2R)-2-Amino-3-(carbamoylamino)oxypropanoic acid
    • O-ureido-D-serine
    • CHEBI:74212
    • o-(carbamoylamino)-d-serine
    • DTXSID401300106
    • O-[(Aminocarbonyl)amino]-D-serine
    • Q27144525
    • Inchi: 1S/C4H9N3O4/c5-2(3(8)9)1-11-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m1/s1
    • InChI Key: ZFLDWYJOQSXISF-UWTATZPHSA-N
    • SMILES: O(C[C@H](C(=O)O)N)NC(N)=O

Computed Properties

  • Exact Mass: 163.05937
  • Monoisotopic Mass: 163.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 159
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.6
  • Topological Polar Surface Area: 128?2

Experimental Properties

  • Density: 1.493
  • Refractive Index: 1.545
  • PSA: 127.67
  • LogP: -0.21030

2-amino-3-(carbamoylamino)oxypropanoic Acid Related Literature

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