Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2YYB3A4Y5T
EPA CompTox DTXSID80202464

Structure

InChI Key ODKKLRIGMTZMLI-UHFFFAOYSA-N
Smiles CCOC(=O)CN(C)CC(=O)OCC
InChI
InChI=1S/C9H17NO4/c1-4-13-8(11)6-10(3)7-9(12)14-5-2/h4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H17N1O4
Molecular Weight 203.12
AlogP 0.04
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 55.84
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 5412-66-8
NORMAN SUSDAT
FDA SRS 2YYB3A4Y5T
PubChem 79432
ChemSpider 71749.0