Compound Identification
SMILES
CC(CC(O)=O)N[C@@H]1COC2=C(C=CC(C)=C2)[C@@H]1O
InChIKey
InChIKey=IPBRVHIENDVACK-VBIMLKNSSA-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
1-benzopyrans Aralkylamines Alkyl aryl ethers Benzenoids Secondary alcohols Amino acids 1,2-aminoalcohols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Aralkylamine - Benzenoid - 1,2-aminoalcohol - Amino acid - Secondary alcohol - Oxacycle - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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