Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AK4W6LQV28
EPA CompTox DTXSID50941651

Structure

InChI Key NGKUXFFRPNDQIW-UHFFFAOYSA-N
Smiles O=C(OCC)N1CCC(=O)C(C(=O)OC)C1
InChI
InChI=1/C10H15NO5/c1-3-16-10(14)11-5-4-8(12)7(6-11)9(13)15-2/h7H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15NO5
Molecular Weight 229.1
AlogP 0.21
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 72.91
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 19821-27-3
NORMAN SUSDAT
FDA SRS AK4W6LQV28
PubChem 89230