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

Structure

InChI Key OBMJJTQPNCMCGX-UHFFFAOYSA-N
Smiles O=C(N(CCO)CCO)CC(=O)N(CCO)CCO
InChI
InChI=1/C11H22N2O6/c14-5-1-12(2-6-15)10(18)9-11(19)13(3-7-16)4-8-17/h14-17H,1-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22N2O6
Molecular Weight 278.15
AlogP -3.0
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 121.54
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 64165-41-9
NORMAN SUSDAT
PubChem 3017498