Compound Identification
SMILES
CCC1=CC=C(C[N+](C)(CC(O)=O)CC(O)=O)C=C1
InChIKey
InChIKey=KZYKHOFDIIIQCX-UHFFFAOYSA-O
Formula
C14H20NO4
Mass
266.316
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
-
Level 8
N-acyl-alpha amino acids
- Level 9 N-benzylalanines
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Level 8
N-acyl-alpha amino acids
-
Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
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 - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
Direct Parent
N-benzylalanines
Alternative Parents
Alpha amino acids Phenylmethylamines Benzylamines Aralkylamines Dicarboxylic acids and derivatives Tetraalkylammonium salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-benzylalanine - Alpha-amino acid - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylalanines. These are n-benzyl derivatives of alanine.
External Descriptors
Not available