Conformational analysis of methyl 3-amino-2-butenoate by a modern level

The conformers of MAB have been studied by means of DFT. The geometry and vibrationalwavenumbers of MAB were calculated at the TPSSh level using 6-311++G(d,p) basis set. Accordingto the calculated results, only one structure is the most stable conformer of MAB which is inagreement with the corresponding APO results.

Keywords:

β-Enaminones , DFT , Conformational stability , Hydogen bond