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

Structure

InChI Key LZRDHSFPLUWYAX-UHFFFAOYSA-N
Smiles CC(C)(C)OC(=O)N1CCC([NH3+])CC1
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7,11H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20N2O2
Molecular Weight 200.15
AlogP 1.34
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 55.56
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 87120-72-7
NORMAN SUSDAT