Compound Identification
SMILES
[Na+].CCN(C)C1=CC=CC(NC(=O)C([O-])=O)=C1C#N
InChIKey
InChIKey=TXNHKUGCSUDYHZ-UHFFFAOYSA-M
Formula
C12H12N3NaO3
Mass
269.236
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
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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
Alpha amino acids and derivatives
Alternative Parents
Anilides Aniline and substituted anilines N-arylamides Benzonitriles Dialkylarylamines Secondary carboxylic acid amides Amino acids Carboxylic acid salts Nitriles Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Anilide - Benzonitrile - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Tertiary amine - Amino acid - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic sodium salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organic salt - Cyanide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available