Compound Identification
SMILES
COC(=O)CC(NC(=O)C1=CC(F)=CC=C1)C(O)=O
InChIKey
InChIKey=BGIUFZLURCGGBE-UHFFFAOYSA-N
Formula
C12H12FNO5
Mass
269.228
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 Aspartic acid 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
Aspartic acid and derivatives
Alternative Parents
N-acyl-alpha amino acids Hippuric acids 3-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Fatty acid methyl esters Aryl fluorides Dicarboxylic acids and derivatives Methyl esters Secondary carboxylic acid amides Carboxylic acids Organonitrogen compounds Carbonyl compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aspartic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Fatty acid methyl ester - Fatty acid ester - Fluorobenzene - Halobenzene - Dicarboxylic acid or derivatives - Aryl fluoride - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Aryl halide - Methyl ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxylic acid - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available