Compound Identification
SMILES
CC(C)(C)OC(=O)CC(N)[C@H](O)C1=CC=CC=C1
InChIKey
InChIKey=GAIHRKAPNDCQBH-GLGOKHISSA-N
Formula
C14H21NO3
Mass
251.326
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 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
Fatty acid esters Aralkylamines Benzene and substituted derivatives Secondary alcohols Carboxylic acid esters 1,2-aminoalcohols Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Fatty acyl - 1,2-aminoalcohol - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Organic oxygen compound - Aromatic alcohol - Carbonyl group - Organic nitrogen compound - Alcohol - Organic oxide - Amine - 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