Molecule ID: 86583466

IUPAC Name: (2S)-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]-2-azaniumylpropanoate

Description: The molecule is an L-alpha-amino acid zwitterion that results from the transfer of a proton from the carboxylic acid group to the alpha-amino group of N(3)-fumaramoyl-(S)-2,3-diaminopropanoic acid; major species at pH 7.3. It is a tautomer of a N(3)-fumaramoyl-(S)-2,3-diaminopropanoic acid.

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

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

InChI: InChI=1S/C7H11N3O4/c8-4(7(13)14)3-10-6(12)2-1-5(9)11/h1-2,4H,3,8H2,(H2,9,11)(H,10,12)(H,13,14)/b2-1+/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 140.0 Ų
- LogP: -4.3