Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YT5M276PAW
EPA CompTox DTXSID5067506

Structure

InChI Key JTLQQZSDVWPHLD-UHFFFAOYSA-N
Smiles CCCCCC(=O)N(CCO)CCO
InChI
InChI=1S/C10H21NO3/c1-2-3-4-5-10(14)11(6-8-12)7-9-13/h12-13H,2-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21N1O3
Molecular Weight 203.15
AlogP 0.38
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 60.77
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 29752-80-5
NORMAN SUSDAT
FDA SRS YT5M276PAW
PubChem 110255
ChemSpider 98995.0