Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID801003986

Structure

InChI Key WDPDIPXYVCLBCI-UHFFFAOYSA-N
Smiles O=C(OCC)N1CCC(=O)C(OC)C1
InChI
InChI=1/C9H15NO4/c1-3-14-9(12)10-5-4-7(11)8(6-10)13-2/h8H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15NO4
Molecular Weight 201.1
AlogP 0.43
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 55.84
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 83863-72-3
NORMAN SUSDAT
PubChem 2724451