Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6F6XS5YCB6
EPA CompTox DTXSID40984330

Structure

InChI Key JALKXPURISYHHL-UHFFFAOYSA-N
Smiles OCC(O)CN(CCCC)CC(O)CO
InChI
InChI=1/C10H23NO4/c1-2-3-4-11(5-9(14)7-12)6-10(15)8-13/h9-10,12-15H,2-8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H23NO4
Molecular Weight 221.16
AlogP -1.21
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 84.16
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 65838-95-1
NORMAN SUSDAT
FDA SRS 6F6XS5YCB6
PubChem 6455201