Molecule ID: 25200769

IUPAC Name: (2S)-2-azaniumyl-3-(2,4-dioxopyrimidin-1-yl)propanoate

Description: The molecule is zwitterionic form of 3-(uracil-1-yl)-L-alanine having an anionic carboxy group and a protonated amino group. It is a tautomer of a 3-(uracil-1-yl)-L-alanine.

SMILES: N[C@@H](Cn1ccc(O)nc1=O)C(=O)O

SELFIES: [N][C@@H1][Branch1][=C][C][N][C][=C][C][Branch1][C][O][=N][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 117.0 Ų
- LogP: -3.7