Molecule ID: 56927774

IUPAC Name: (2S)-N-butyl-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanamide

Description: The molecule is an alanine derivative obtained by formal condensation between N-butyl-L-alaninamide and (R)-2-hydroxy-2-phenylacetic acid. It is a secondary alcohol, a L-alanine derivative and a secondary carboxamide.

SMILES: CCCCN=C(O)[C@H](C)N=C(O)[C@H](O)c1ccccc1

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

InChI: InChI=1S/C15H22N2O3/c1-3-4-10-16-14(19)11(2)17-15(20)13(18)12-8-6-5-7-9-12/h5-9,11,13,18H,3-4,10H2,1-2H3,(H,16,19)(H,17,20)/t11-,13+/m0/s1

Molecular Properties:
- Polar Surface Area: 78.4 Ų
- LogP: 1.6