Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Y5948MTH7R
EPA CompTox DTXSID7066512

Structure

InChI Key MPAWVDTVWPPKJQ-UHFFFAOYSA-N
Smiles CCOC(=O)CCN1CCCCC1
InChI
InChI=1S/C10H19NO2/c1-2-13-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H19N1O2
Molecular Weight 185.14
AlogP 1.43
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 29.54
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 19653-33-9
NORMAN SUSDAT
FDA SRS Y5948MTH7R
PubChem 88183
ChemSpider 79553.0