Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B8Q3U39CUO
EPA CompTox DTXSID1066102

Structure

InChI Key HMALWDVRMHVUAW-UHFFFAOYSA-N
Smiles CCOC(=O)C(=O)N(C)C
InChI
InChI=1S/C6H11NO3/c1-4-10-6(9)5(8)7(2)3/h4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N1O3
Molecular Weight 145.07
AlogP -0.36
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 46.61
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 16703-52-9
NORMAN SUSDAT
FDA SRS B8Q3U39CUO
PubChem 85553
ChemSpider 77157.0