Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90884831

Structure

InChI Key RZJKZTPKSRPUFJ-UHFFFAOYSA-N
Smiles O=C1N(C(=O)C(N1CC2OC2)(C)C)CC3OC3
InChI
InChI=1/C11H16N2O4/c1-11(2)9(14)12(3-7-5-16-7)10(15)13(11)4-8-6-17-8/h7-8H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16N2O4
Molecular Weight 240.11
AlogP -0.17
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 65.68
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 15336-81-9
NORMAN SUSDAT
PubChem 85828