Compound Identification
SMILES
BrC1=CC=C(NC(=O)CC[NH+]2CCOCC2)C=C1
InChIKey
InChIKey=FFKILSHSSTVOBO-UHFFFAOYSA-O
Formula
C13H18BrN2O2
Mass
314.202
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
Anilides N-arylamides Bromobenzenes Aryl bromides Morpholines Quaternary ammonium salts Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Anilide - N-arylamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Morpholine - Benzenoid - Oxazinane - Quaternary ammonium salt - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Amine - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic cation - 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