Molecule ID: 111

IUPAC Name: 3-(carbamoylamino)propanoic acid

Description: The molecule is a beta-alanine derivative that is propionic acid bearing a ureido group at position 3. It has a role as a metabolite and a mouse metabolite. It derives from a propionic acid. It is a conjugate acid of a N-carbamoyl-beta-alaninate.

SMILES: N=C(O)NCCC(=O)O

SELFIES: [N][=C][Branch1][C][O][N][C][C][C][=Branch1][C][=O][O]

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

Molecular Properties:
- Polar Surface Area: 92.4 Ų
- LogP: -1.5