Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110789
Identification
Name: 2,3-dihydro-3-hydroxyanthranilate
Description:Not Available
Structure
Thumb
Synonyms:
  • 2,3-dihydro-3-hydroxyanthranilic acid
Chemical Formula: C7H9NO3
Average Molecular Weight: 155.15
Monoisotopic Molecular Weight: 155.0582431604
InChI Key: Not Available
InChI:Not Available
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(C1(C(C(C=CC=1)O)N))(O)=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassAlcohols and polyols
Direct Parent Secondary alcohols
Alternative Parents
Substituents
  • Amino acid or derivatives
  • Secondary alcohol
  • Amino acid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Primary amine
  • Organonitrogen compound
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Amine
  • Carbonyl group
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aliphatic homomonocyclic compound
Molecular Framework Aliphatic homomonocyclic compounds
External Descriptors
  • amino alcohol, amino acid (CHEBI:60841)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass155.1510ChemAxon
logP-0.0443ChemAxon
H-bond acceptors4ChemAxon
H-bond donors3ChemAxon
Rotatable bonds1ChemAxon
PSA83.5500ChemAxon
RO5 violations0ChemAxon
RO3 violations2ChemAxon
Refractivity38.3420ChemAxon
Atoms20ChemAxon
Rings1ChemAxon
Heavy atoms11ChemAxon
Hydrogen atoms9ChemAxon
Heteroatoms4ChemAxon
N/O atoms4ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers2ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers2ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
PseudoCycCPDB-5667