Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R9N34P4MPY
EPA CompTox DTXSID00184071

Structure

InChI Key HOEOMWYFJBSYSF-UHFFFAOYSA-N
Smiles COC(=O)N1CCC(=O)CC1
InChI
InChI=1S/C7H11NO3/c1-11-7(10)8-4-2-6(9)3-5-8/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11N1O3
Molecular Weight 157.07
AlogP 0.42
Hydrogen Bond Acceptor 3.0
Polar Surface Area 46.61
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 29976-54-3
NORMAN SUSDAT
FDA SRS R9N34P4MPY
PubChem 121606
ChemSpider 108510.0