Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60195603

Structure

InChI Key SOLYWAUOPAAMCR-UHFFFAOYSA-N
Smiles CCCN(CCC)CCC(=O)OCC
InChI
InChI=1S/C11H23NO2/c1-4-8-12(9-5-2)10-7-11(13)14-6-3/h4-10H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H23N1O2
Molecular Weight 201.17
AlogP 2.06
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 29.54
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 42980-55-2
NORMAN SUSDAT
PubChem 98749
ChemSpider 89189.0