Molecule ID: 440259

IUPAC Name: (2S)-2-amino-3-(oxaloamino)propanoic acid

Description: The molecule is an N(beta)-acyl-L-2,3-diaminopropionic acid in which the acyl group is oxalyl. It derives from a propionic acid. It is a conjugate acid of a N(3)-(carboxylatoformyl)-L-2,3-diaminopropionate(1-).

SMILES: N[C@@H](CNC(=O)C(=O)O)C(=O)O

SELFIES: [N][C@@H1][Branch1][N][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)/t2-/m0/s1

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: -4.1