Molecule ID: 14054107

IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoate

Description: The molecule is a phenylalanine derivative that is methyl 4-nitrophenylalaninate substituted by a tert-butoxycarbonyl group at the amino nitrogen. It is a carbamate ester, an alpha-amino acid ester and a phenylalanine derivative. It derives from a 4-nitrophenylalanine and a tert-butanol.

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

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

InChI: InChI=1S/C15H20N2O6/c1-15(2,3)23-14(19)16-12(13(18)22-4)9-10-5-7-11(8-6-10)17(20)21/h5-8,12H,9H2,1-4H3,(H,16,19)

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 1.9