Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID9065819

Structure

InChI Key COYBSBIBDYUILE-UHFFFAOYSA-N
Smiles CC(=O)OCCN(CCO)CCO
InChI
InChI=1S/C8H17NO4/c1-8(12)13-7-4-9(2-5-10)3-6-11/h10-11H,2-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17N1O4
Molecular Weight 191.12
AlogP -1.16
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 70.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 14806-73-6
NORMAN SUSDAT
PubChem 84656
ChemSpider 76369.0