Abstract: | The title compound, C5H9NO4·H2O, has been synthesized and crystallized. It crystallizes in Cc with one molecule in the asymmetric unit. The compound is found in its zwitterionic form. d and l forms of the compound are linked in the crystal via O—H?O and N—H?O hydrogen bonds, both directly between the aspartic acid‐derivative entities and to the crystal water molecule. A weak intramolecular N—H?O interaction is found. The carbon skeleton is slightly twisted with C—C—C—C = 166.83 (11)°. A comparison with other derivatives of aspartic acid shows only two rotamers – one with a near planar carbon skeleton and one with a significantly twisted carbon skeleton. |