Compound Identification
SMILES
CC(C)C(CC([O-])=O)[NH2+]CC1=CC(=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=SLYYMYDXCORGAP-UHFFFAOYSA-N
Formula
C13H17ClN2O4
Mass
300.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Nitrobenzenes Phenylmethylamines Benzylamines Nitroaromatic compounds Aralkylamines Chlorobenzenes Aryl chlorides Quaternary ammonium salts Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Dialkylamines Monocarboxylic acids and derivatives Organochlorides Organic zwitterions Carbonyl compounds Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzylamine - Phenylmethylamine - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Organic nitro compound - Carboxylic acid salt - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available