Molecule ID: 25201719

IUPAC Name: (2S)-2-azaniumyl-4-carbamoylpent-4-enoate

Description: The molecule is zwitterionic form of 4-methylene-L-glutamine having an anionic carboxy group and a cationic amino group; major species at pH 7.3. It is a tautomer of a 4-methylene-L-glutamine.

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

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

InChI: InChI=1S/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 111.0 Ų
- LogP: -2.9