Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

3-Ureidopropionic Acid

Graphical representations:


View large 3D structure

Molecular Formula: C4H8N2O3

Natural Isotopic Abundance Mass: 132.11792

Mono-Isotopic Molecular Masses:

  • C12N14: 132.0534921335
  • C13N14: 136.0669114847
  • C12N15: 134.0475619199
  • C13N15: 138.0609812711

InChI string: InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)

PubChem Compound (CID): 111
CAS Registry number: 462-88-4
Thomson Pharma: 00067291
ChemIDplus: 000462884
ChEBI: CHEBI:18261
ChemSpider: 109
DTP/NCI: 190691
KEGG Compound ID: C02642
Sigma-Aldrich: 94295_FLUKA
MMDB: 59805.9
ChemDB: 3999496
PDB Compound ID: URP

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,