Compound Identification
SMILES
C[C@@H]1C[NH+](CCC(=O)NC2=CC3=C(OCCO3)C=C2)C[C@@H](C)O1
InChIKey
InChIKey=AFJZQAUFRDQTGO-CHWSQXEVSA-O
Formula
C17H25N2O4
Mass
321.396
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
Benzo-1,4-dioxanes N-arylamides Alkyl aryl ethers Benzenoids Morpholines Para dioxins Quaternary ammonium salts Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - N-arylamide - Alkyl aryl ether - Morpholine - Oxazinane - Para-dioxin - Benzenoid - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic cation - 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