Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ERL2MM8I7X
EPA CompTox DTXSID8061684

Structure

InChI Key GOLSFPMYASLXJC-UHFFFAOYSA-N
Smiles CN(C)CCOC(=O)C
InChI
InChI=1S/C6H13NO2/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N1O2
Molecular Weight 131.09
AlogP 0.11
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 29.54
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1421-89-2
NORMAN SUSDAT
FDA SRS ERL2MM8I7X
PubChem 15013
ChemSpider 14290.0