Molecule ID: 22227788

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

Description: The molecule is a phenylalanine derivative that is methyl 4-aminophenylalaninate substituted by a tert-butoxycarbonyl on the alpha-Nitrogen atom. It is a carbamate ester, an alpha-amino acid ester and a phenylalanine derivative. It derives from a phenylalanine and a tert-butanol.

SMILES: COC(=O)C(Cc1ccc(N)cc1)N=C(O)OC(C)(C)C

SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][=C][Branch1][C][O][O][C][Branch1][C][C][Branch1][C][C][C]

InChI: InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-12(13(18)20-4)9-10-5-7-11(16)8-6-10/h5-8,12H,9,16H2,1-4H3,(H,17,19)

Molecular Properties:
- Polar Surface Area: 90.6 Ų
- LogP: 1.4