Metabolite 2-(o-carboxybenzamido)glutaric acid

Name
2-(o-carboxybenzamido)glutaric acid
Description
Not Available
Structure
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 295.247
Monoisotopic: 295.069201763
Chemical Formula
C13H13NO7
InChI Key
QIWKCQDJZPRXNS-UHFFFAOYSA-N
InChI
InChI=1S/C13H13NO7/c15-10(16)6-5-9(13(20)21)14-11(17)7-3-1-2-4-8(7)12(18)19/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)(H,20,21)
IUPAC Name
2-[(2-carboxyphenyl)formamido]pentanedioic acid
SMILES
OC(=O)CCC(NC(=O)C1=C(C=CC=C1)C(O)=O)C(O)=O
Reactions
ChemSpider
4640
Predicted Properties
PropertyValueSource
logP0.4ChemAxon
pKa (Strongest Acidic)2.84ChemAxon
pKa (Strongest Basic)-1.8ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area141 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity68.66 m3·mol-1ChemAxon
Polarizability27.32 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon