Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60979748

Structure

InChI Key RAPGWBWOZSWEHJ-UHFFFAOYSA-N
Smiles O=C(OC)CC1N(C(=O)CC1)C
InChI
InChI=1/C8H13NO3/c1-9-6(3-4-7(9)10)5-8(11)12-2/h6H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H13NO3
Molecular Weight 171.09
AlogP 0.17
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 46.61
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 63537-14-4
NORMAN SUSDAT
PubChem 14587548