Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 77382IHE37
EPA CompTox DTXSID8020173

Structure

InChI Key NYVDNVCZHTXXMW-UHFFFAOYSA-N
Smiles CCCCNC(=O)OC
InChI
InChI=1S/C6H13NO2/c1-3-4-5-7-6(8)9-2/h3-5H2,1-2H3,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N1O2
Molecular Weight 131.09
AlogP 1.35
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 41.82
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 542-88-1
NORMAN SUSDAT
FDA SRS 77382IHE37
PubChem 96524
ChemSpider 87140.0