Compound Identification
SMILES
CC(C)(C)OC(=O)C1=CC=C(C=C1)[C@H](C[NH3+])C([O-])=O
InChIKey
InChIKey=ZHOZRNGLHKXNSX-NSHDSACASA-N
Formula
C14H19NO4
Mass
265.309
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
Aromatic monoterpenoids Benzoic acid esters Monocyclic monoterpenoids Benzoyl derivatives Aralkylamines Quaternary ammonium salts Carboxylic acid salts Carboxylic acid esters Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic salts Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - P-cymene - Aromatic monoterpenoid - Benzoate ester - Monocyclic monoterpenoid - Monoterpenoid - Benzoic acid or derivatives - Benzoyl - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Quaternary ammonium salt - Amino acid - Carboxylic acid ester - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic zwitterion - Primary aliphatic amine - Organic salt - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organooxygen compound - Organic oxide - Primary amine - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic 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