Compound Identification
SMILES
O=C1NC2=C(C=C(C=C2)C2=CC=CC=C2)C(=O)N2CCNCC12
InChIKey
InChIKey=URFKCCHWXQBAPC-UHFFFAOYSA-N
Formula
C18H17N3O2
Mass
307.353
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
1,4-benzodiazepines Alpha amino acids and derivatives Piperazines Benzene and substituted derivatives Vinylogous amides Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Beta amino acid or derivatives - 1,4-benzodiazepine - Alpha-amino acid or derivatives - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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