Compound Identification
SMILES
OCCCNC1CC(OC1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=MDPZPGXKEAYRQK-UHFFFAOYSA-N
Formula
C13H16ClNO3
Mass
269.73
Taxonomic Classification
Taxonomy Tree
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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
-
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
Aralkylamines Chlorobenzenes Aryl chlorides Gamma butyrolactones 1,3-aminoalcohols Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - 1,3-aminoalcohol - Oxolane - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Secondary amine - Alkanolamine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Organic oxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Organopnictogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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