Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID1066021

Structure

InChI Key SKPWGBMKZNVXFF-UHFFFAOYSA-N
Smiles CC(=O)NCCOC(=O)C
InChI
InChI=1S/C6H11NO3/c1-5(8)7-3-4-10-6(2)9/h3-4H2,1-2H3,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N1O3
Molecular Weight 145.07
AlogP 0.53
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 58.89
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 16180-96-4
NORMAN SUSDAT
PubChem 85319
ChemSpider 76948.0