Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID3068461

Structure

InChI Key RMOPCJOZHHOQFT-UHFFFAOYSA-N
Smiles CC(=O)OCCNCCO
InChI
InChI=1S/C6H13NO3/c1-6(9)10-5-3-7-2-4-8/h7-8H,2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N1O3
Molecular Weight 147.09
AlogP -0.87
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 58.56
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 44958-25-0
NORMAN SUSDAT
PubChem 170749
ChemSpider 149281.0