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Isovaline monohydrate.

ABSTRACT: The title compound, C5H11NO2·H2O, is an isomer of the ?-amino acid valine that crystallizes from water in its zwitterion form as a monohydrate. It is not one of the 20 proteinogenic amino acids that are used in living systems and differs from the natural amino acids in that it has no ?-H atom. The compound exhibits hydrogen bonding between the water mol-ecule and the carboxyl-ate O atoms and an amine H atom. In addition, there are inter-molecular hydrogen-bonding inter-actions between the carboxyl-ate O atoms and amine H atoms. In the crystal, these extensive N-H?O and O-H?O hydrogen bonds lead to the formation of a three-dimensional network.

SUBMITTER: Butcher RJ

PROVIDER: S-EPMC3885077 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

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Isovaline monohydrate.

Butcher Ray J RJ Brewer Greg G Burton Aaron S AS Burton Aaron S AS Dworkin Jason P JP

Acta crystallographica. Section E, Structure reports online 20131127 Pt 12

The title compound, C5H11NO2·H2O, is an isomer of the α-amino acid valine that crystallizes from water in its zwitterion form as a monohydrate. It is not one of the 20 proteinogenic amino acids that are used in living systems and differs from the natural amino acids in that it has no α-H atom. The compound exhibits hydrogen bonding between the water mol-ecule and the carboxyl-ate O atoms and an amine H atom. In addition, there are inter-molecular hydrogen-bonding inter-actions between the carbox ...[more]

PMID: 24454253

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