Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M9EUA96ESY
EPA CompTox DTXSID60171482

Structure

InChI Key OBXXSRPAQLOXJN-UHFFFAOYSA-N
Smiles CCOC(=O)CN1CCC(CC1)C(=O)OCC
InChI
InChI=1S/C12H21NO4/c1-3-16-11(14)9-13-7-5-10(6-8-13)12(15)17-4-2/h10H,3-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H21N1O4
Molecular Weight 243.15
AlogP 0.82
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 55.84
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 1838-39-7
NORMAN SUSDAT
FDA SRS M9EUA96ESY
PubChem 74605
ChemSpider 67182.0