Compound Identification
SMILES
COC(=O)C[C@@H](N)C1=C(OC)C(OC)=CC=C1
InChIKey
InChIKey=CWCVHFKPNIHISS-SECBINFHSA-N
Formula
C12H17NO4
Mass
239.271
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
Dimethoxybenzenes Phenoxy compounds Anisoles Fatty acid esters Aralkylamines Alkyl aryl ethers Methyl esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Ether - Monocarboxylic acid or derivatives - Organic oxide - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Primary amine - Organic oxygen compound - Hydrocarbon derivative - 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