Compound Identification
SMILES
COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2N1CC1=CC=C(Cl)C=C1
InChIKey
InChIKey=XGBUDELNFLLPIY-BVUBDWEXSA-N
Formula
C17H22ClNO3
Mass
323.82
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 Alpha amino acid esters
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Indoles and derivatives Pyrrolidine carboxylic acids Phenylmethylamines Benzylamines Aralkylamines Chlorobenzenes Aryl chlorides N-alkylpyrrolidines Methyl esters Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Indole or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Phenylmethylamine - Benzylamine - Aralkylamine - Halobenzene - Chlorobenzene - Benzenoid - N-alkylpyrrolidine - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Cyclic alcohol - Methyl ester - Pyrrolidine - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organohalogen compound - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available