Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key SNBBJBGQWHTTSI-UHFFFAOYSA-N
Smiles CCOC(=O)CCCN(C)CCC(=O)OCC
InChI
InChI=1S/C12H23NO4/c1-4-16-11(14)7-6-9-13(3)10-8-12(15)17-5-2/h4-10H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H23N1O4
Molecular Weight 245.16
AlogP 1.21
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 9.0
Polar Surface Area 55.84
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 109386-70-1
NORMAN SUSDAT
PubChem 13664127
ChemSpider 23349161.0