Cas no 144319-56-2 (4-Oxo-4-[(2-oxothiolan-3-yl)amino]butanoic acid)

4-Oxo-4-[(2-oxothiolan-3-yl)amino]butanoic acid structure
144319-56-2 structure
Product Name:4-Oxo-4-[(2-oxothiolan-3-yl)amino]butanoic acid
CAS No:144319-56-2
MF:C8H11NO4S
MW:217.24224114418
CID:2107236
Update Time:2023-08-03

4-Oxo-4-[(2-oxothiolan-3-yl)amino]butanoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-oxo-4-[(tetrahydro-2-oxo-3-thienyl)amino]Butanoic acid
    • 3-[(2-oxothiolan-3-yl)carbamoyl]propanoic acid
    • 4-Oxo-4-[(2-oxothiolan-3-yl)amino]butanoic acid
    • Inchi: 1S/C8H11NO4S/c10-6(1-2-7(11)12)9-5-3-4-14-8(5)13/h5H,1-4H2,(H,9,10)(H,11,12)
    • InChI Key: FAASSQAUZNDUJO-UHFFFAOYSA-N
    • SMILES: S1C(C(CC1)NC(CCC(=O)O)=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 266
  • XLogP3: -0.9
  • Topological Polar Surface Area: 109
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