Compound Identification
SMILES
OC(=O)CCNC1=CC=CC2=C1C=CC=C2Br
InChIKey
InChIKey=GQBLVZNHZXXGAT-UHFFFAOYSA-N
Formula
C13H12BrNO2
Mass
294.148
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
Naphthalenes Secondary alkylarylamines Aryl bromides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Beta amino acid or derivatives - Naphthalene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary amine - Amine - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic 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