Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8YN8K55FV5
EPA CompTox DTXSID80983807

Structure

InChI Key PTKLDHADMDDGDN-UHFFFAOYSA-N
Smiles O=C(OC)N1CC(=O)C(C(=O)OCC)CC1
InChI
InChI=1/C10H15NO5/c1-3-16-9(13)7-4-5-11(6-8(7)12)10(14)15-2/h7H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15NO5
Molecular Weight 229.1
AlogP 0.21
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 72.91
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 65202-59-7
NORMAN SUSDAT
FDA SRS 8YN8K55FV5
PubChem 10561371