Molecule ID: 18603770

IUPAC Name: (2S)-2-amino-5-anilino-5-oxopentanoic acid

Description: The molecule is an L-glutamine derivative obtained by the formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of aniline. It is an anilide and a L-glutamine derivative. It is a tautomer of a N(5)-phenyl-L-glutamine zwitterion.

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: 92.4 Ų
- LogP: -2.1