Molecule ID: 86289563

IUPAC Name: (2S)-5-anilino-2-azaniumyl-5-oxopentanoate

Description: The molecule is an amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of N(5)-phenyl-L-glutamine; major species at pH 7.3. It is a tautomer of a N(5)-phenyl-L-glutamine.

SMILES: N[C@@H](CCC(O)=Nc1ccccc1)C(=O)O

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

InChI: InChI=1S/C11H14N2O3/c12-9(11(15)16)6-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 96.9 Ų
- LogP: -1.4