Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00916455

Structure

InChI Key MUPFIGLSLOVQLZ-UHFFFAOYSA-N
Smiles O=C(O)C1CC(=O)N(CCCN(C)C)C1
InChI
InChI=1/C10H18N2O3/c1-11(2)4-3-5-12-7-8(10(14)15)6-9(12)13/h8H,3-7H2,1-2H3,(H,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18N2O3
Molecular Weight 214.13
AlogP -0.13
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 60.85
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 94108-46-0
NORMAN SUSDAT