Compound Identification
SMILES
CN1CC(C(CC(=O)NCCC(O)=O)O1)C1=CC=C(C=C1)C(N)=N
InChIKey
InChIKey=OMCDKFHSGARFEN-UHFFFAOYSA-N
Formula
C16H22N4O4
Mass
334.376
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
Phenylisoxazolidines Benzene and substituted derivatives Secondary carboxylic acid amides Oxacyclic compounds N-organohydroxylamines Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Phenylisoxazolidine - Monocyclic benzene moiety - Benzenoid - Isoxazolidine - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Oxacycle - Carboximidamide - Azacycle - N-organohydroxylamine - Carboxylic acid amidine - Amidine - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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