The effect of N-methylation of amino acids (Ac-X-OMe) on solubility and conformation: a DFT study

• N-Methylation of amino acid derivatives (Ac-X-OMe, X = Gly, Val, Leu, Ile, Phe, Met, Cys, Ser, Asp and His) leads to an increase in aqueous solubility, lipophilicity and lowering of thecis/transamide conformational energy barrier (EA).

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