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N-methyl-DL-aspartic Acid Monohydrate

N-methyl-DL-aspartic Acid Monohydrate

D Madsen, P Pattison

Acta Crystallogr C. 2000 Sep;56 ( Pt 9):1157-8.

PMID: 10986517

Abstract:

The title compound, C(5)H(9)NO(4).H(2)O, 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) degrees. 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.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP68315355	DL-Aspartic acid-4-13C		68315-35-5	Price

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