Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40977328

Structure

InChI Key SUPYQTKKYLUOBW-UHFFFAOYSA-N
Smiles O=C1NC(=O)C(C)(C)C1C
InChI
InChI=1/C7H11NO2/c1-4-5(9)8-6(10)7(4,2)3/h4H,1-3H3,(H,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11NO2
Molecular Weight 141.08
AlogP 1.15
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 49.66
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 61748-86-5
NORMAN SUSDAT
PubChem 550809