Single crystals of (2R,3R)-2-azaniumyl-3-hydroxybutanoate (AA-Z)was grown by controlled slow evaporation method at 5°C.The physico-chemical properties of the grown crystals were understood by single crystal x-ray diffraction (SXRD), Fourier transform infrared (FT-IR), UV-Vis spectral and non-linear optical (NLO) studies. SXRD confirmed the material of the grown crystal. FT-IR confirms the zwitter ionic nature of the amino acids and supports the SXRD structure of AA-Z. UV-Vis spectral studies showed that AA-Z crystals absorb UV radiation and transparent in the visible region. Docking studies with two deadly COVID strains viz., COVID-7N0R and COVID-7R98 was carried out. It was found that ligand AA-Z is two times more effective in binding with COVID-7N0R than with COVID-7R98. The details are reported herein.