Compound Identification
SMILES
CCOC1=C(NC(=O)CCN2CCOCC2)C=C2C(=C1)N=CC(C#N)=C2NC1=CC(Cl)=C(F)C=C1
InChIKey
InChIKey=ABNJTLJOBGFVGE-UHFFFAOYSA-N
Formula
C25H25ClFN5O3
Mass
497.96
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
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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
4-aminoquinolines Aniline and substituted anilines N-arylamides Phenol ethers Chlorobenzenes Fluorobenzenes Aminopyridines and derivatives Alkyl aryl ethers Aryl chlorides Morpholines Aryl fluorides Primary aromatic amines Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Nitriles Azacyclic compounds Dialkyl ethers Secondary amines Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-aminoquinoline - Aminoquinoline - Beta amino acid or derivatives - Quinoline - Phenol ether - Aniline or substituted anilines - N-arylamide - Alkyl aryl ether - Aminopyridine - Halobenzene - Fluorobenzene - Chlorobenzene - Oxazinane - Benzenoid - Monocyclic benzene moiety - Aryl halide - Morpholine - Aryl fluoride - Pyridine - Primary aromatic amine - Aryl chloride - Heteroaromatic compound - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Nitrile - Carbonitrile - Secondary amine - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organooxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Cyanide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic 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