Molecule ID: 46926285

IUPAC Name: (E)-4-[[(2S)-2-azaniumyl-2-carboxylatoethyl]amino]-4-oxobut-2-enoate

Description: The molecule is an alpha-amino-acid anion that is the conjugate base of N(3)-fumaroyl-(S)-2,3-diaminopropanoic acid; major species at pH 7.3. It is a conjugate base of a N(3)-fumaroyl-(S)-2,3-diaminopropanoic acid.

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

SELFIES: [N][C@@H1][Branch1][=C][C][N][=C][Branch1][C][O-1][/C][=C][/C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H10N2O5/c8-4(7(13)14)3-9-5(10)1-2-6(11)12/h1-2,4H,3,8H2,(H,9,10)(H,11,12)(H,13,14)/p-1/b2-1+/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: -3.0