Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID501003987

Structure

InChI Key IRFADAQNHJWEIN-UHFFFAOYSA-N
Smiles O=C(OCC)N1CCC(OC)(OC)C(OC)C1
InChI
InChI=1/C11H21NO5/c1-5-17-10(13)12-7-6-11(15-3,16-4)9(8-12)14-2/h9H,5-8H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H21NO5
Molecular Weight 247.14
AlogP 0.85
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 57.23
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 83863-73-4
NORMAN SUSDAT
PubChem 3019431