Compound Identification
SMILES
[Cl-].OC(=O)C1CCCN1CC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=CRGITQPAELBODM-UHFFFAOYSA-M
Formula
C13H15ClNO4
Mass
284.72
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 Proline and derivatives
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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
Proline and derivatives
Alternative Parents
Alpha amino acids Benzodioxoles Pyrrolidine carboxylic acids Aralkylamines N-alkylpyrrolidines Benzenoids Trialkylamines Amino acids Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic chloride salts Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Proline or derivatives - Alpha-amino acid - Benzodioxole - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Amino acid - Tertiary amine - Tertiary aliphatic amine - Acetal - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic chloride salt - Carbonyl group - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available