Molecule ID: 560520

IUPAC Name: methyl 2-amino-3-(4-nitrophenyl)propanoate

Description: The molecule is a phenylalanine derivative that is methyl phenylalaninate substituted by a nitro group at position 4 on the benzene ring. It is an alpha-amino acid ester and a phenylalanine derivative. It derives from a 4-nitrophenylalanine.

SMILES: COC(=O)C(N)Cc1ccc([N+](=O)[O-])cc1

SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]

InChI: InChI=1S/C10H12N2O4/c1-16-10(13)9(11)6-7-2-4-8(5-3-7)12(14)15/h2-5,9H,6,11H2,1H3

Molecular Properties:
- Polar Surface Area: 98.1 Ų
- LogP: 1.4