Abstract
Abstract The conformations of ethyl and menthyl esters of 3-amino- and 3-hydroxy-2,3-diphenylpropanoic acid were studied with the MM2 force field enhanced with the addition of electrostatic corrections to the aromatic force field, as proposed by Allinger and Lii (J. Comput. Chem., 8 (1987) 1146) (dipole—dipole interactions), and the special MM2 hydrogen bonding parameters for the van der Waals function. The molecular mechanics results for the amino esters closely matched the experimental data. The populations of conformations with the carbonyl oxygen of an ester group as a proton acceptor in hydrogen bonding were exaggerated for the hydroxy compounds.
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