Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 308EUN932K

Structure

InChI Key IGISNRIWPJVXDB-UHFFFAOYSA-N
Smiles CCC(OC(N)=O)C1CCCCC1
InChI
InChI=1S/C10H19NO2/c1-2-9(13-10(11)12)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H2,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H19N1O2
Molecular Weight 185.14
AlogP 2.85
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 53.31
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 13931-64-1
NORMAN SUSDAT
FDA SRS 308EUN932K