Compound Identification
SMILES
COC1=C(NCCC(O)=O)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=YTYUMJWQLYSHSA-UHFFFAOYSA-N
Formula
C10H12N2O5
Mass
240.215
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
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
Nitrophenyl ethers Aminophenyl ethers Methoxyanilines Phenylalkylamines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Secondary alkylarylamines Alkyl aryl ethers Amino acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic salts Hydrocarbon derivatives Organic oxides Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - Beta amino acid or derivatives - Aminophenyl ether - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Amino acid - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Ether - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic zwitterion - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organic salt - 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