Isovaline monohydrate

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 c...

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Published inActa crystallographica. Section E, Structure reports online Vol. 69; no. Pt 12; pp. o1829 - o1830
Main Authors Butcher, Ray J, Brewer, Greg, Burton, Aaron S, Dworkin, Jason P
Format Journal Article
LanguageEnglish
Published United States International Union of Crystallography 01.12.2013
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Organic Papers
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Abstract 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 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.
AbstractList 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 molecule and the carboxylate O atoms and an amine H atom. In addition, there are intermolecular hydrogen-bonding interactions between the carboxylate 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.
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 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.
The title compound, C 5 H 11 NO 2 ·H 2 O, 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 mol­ecule and the carboxyl­ate O atoms and an amine H atom. In addition, there are inter­molecular hydrogen-bonding inter­actions between the carboxyl­ate 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.
The title compound, C 5 H 11 NO 2 ·H 2 O, 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 molecule and the carboxylate O atoms and an amine H atom. In addition, there are intermolecular hydrogen-bonding interactions between the carboxylate 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.
Author Burton, Aaron S
Brewer, Greg
Dworkin, Jason P
Butcher, Ray J
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Snippet 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...
The title compound, C 5 H 11 NO 2 ·H 2 O, is an isomer of the α-amino acid valine that crystallizes from water in its zwitterion form as a monohydrate. It is...
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Title Isovaline monohydrate
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