Compound Identification
SMILES
COC(=O)[C@H]1COCO[C@]1(NC1=CC=C(Cl)C=C1)C(F)(F)Cl
InChIKey
InChIKey=YNBDXVBIGMIUFQ-PWSUYJOCSA-N
Formula
C13H13Cl2F2NO4
Mass
356.15
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
Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Chlorobenzenes 1,3-dioxanes Aryl chlorides Methyl esters Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Hydrocarbon derivatives Organochlorides Carbonyl compounds Organofluorides Organopnictogen compounds Alkyl fluorides Alkyl chlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Aniline or substituted anilines - Phenylalkylamine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Meta-dioxane - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Acetal - Monocarboxylic acid or derivatives - Organic oxide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organochloride - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Alkyl chloride - Organofluoride - Organonitrogen compound - Alkyl halide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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