Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5FTM9SY0QO
EPA CompTox DTXSID70203162

Structure

InChI Key NAEAAGULDNVNCW-UHFFFAOYSA-N
Smiles CCOC(=O)N1CCN(CC1)C(=O)OCC
InChI
InChI=1S/C10H18N2O4/c1-3-15-9(13)11-5-7-12(8-6-11)10(14)16-4-2/h3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18N2O4
Molecular Weight 230.13
AlogP 0.92
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 59.08
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 5470-28-0
NORMAN SUSDAT
FDA SRS 5FTM9SY0QO
PubChem 79615
ChemSpider 71922.0