10967/149 - QDB Compounds

QsarDB Repository

Narasimhan, B.; Ansari, A.M.; Singh, N.; Mourya, V.; Dhakee, A.S. A QSAR Approach for the Prediction of Stability of Benzoglycolamide Ester Prodrugs. Chem. Pharm. Bull. 2006, 54, 1067–1071.

Compound

ID:37
Name:[(2-carbamoylpyrrolidin-1-yl)carbamoyl]methyl benzoate
Description:Names and InChI codes were generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C14H17N3O4/c15-13(19)11-7-4-8-17(11)16-12(18)9-21-14(20)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,15,19)(H,16,18)

Properties

logK: Hydrolytic rate constant as logK

ValueSource or prediction
-1.41

experimental value

-1.31

Tab4.model3: Model for benzoglycolamide ester prodrugs (Training set)