Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8GYM8AP2FW
EPA CompTox DTXSID30953590

Structure

InChI Key HAZRPOJOJSFKAP-UHFFFAOYSA-N
Smiles O=C(OC)N1CCC(=O)C(C(=O)OC)(C)C1
InChI
InChI=1/C10H15NO5/c1-10(8(13)15-2)6-11(9(14)16-3)5-4-7(10)12/h4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15NO5
Molecular Weight 229.1
AlogP 0.21
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 72.91
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 31633-71-3
NORMAN SUSDAT
FDA SRS 8GYM8AP2FW
PubChem 3015585