Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ME3Y22XVA7
EPA CompTox DTXSID30937537

Structure

InChI Key DRWKBZREIMLHDX-MQWKRIRWSA-N
Smiles O=C(OC(C)(C)C)C(N)C(C)CC
InChI
InChI=1/C10H21NO2/c1-6-7(2)8(11)9(12)13-10(3,4)5/h7-8H,6,11H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21NO2
Molecular Weight 187.16
AlogP 1.7
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 52.32
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 16874-08-1
NORMAN SUSDAT
FDA SRS ME3Y22XVA7
PubChem 12408521