Compound Identification
SMILES
COC(=O)CCNC(=O)C1=COC(COC2=CC=CC(=C2)C(F)(F)F)=N1
InChIKey
InChIKey=NSXCTEZQCDGURU-UHFFFAOYSA-N
Formula
C16H15F3N2O5
Mass
372.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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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
Trifluoromethylbenzenes Phenoxy compounds Phenol ethers 2-heteroaryl carboxamides 2,4-disubstituted oxazoles Alkyl aryl ethers Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Alkyl fluorides Organic oxides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Trifluoromethylbenzene - 2-heteroaryl carboxamide - Phenoxy compound - Phenol ether - 2,4-disubstituted 1,3-oxazole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Methyl ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organic oxygen compound - 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