Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10446511

Structure

InChI Key FNTAOUUEQHKLIU-ZETCQYMHSA-N
Smiles COC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C
InChI
InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13/h7H,5-6H2,1-4H3/t7-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17N1O5
Molecular Weight 243.11
AlogP 1.09
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 72.91
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 108963-96-8
NORMAN SUSDAT
PubChem 10868485
ChemSpider 3387157.0