Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GJV9GPX5T3
EPA CompTox DTXSID60189587

Structure

InChI Key DRDVJQOGFWAVLH-UHFFFAOYSA-N
Smiles CC(C)(C)OC(=O)NO
InChI
InChI=1S/C5H11NO3/c1-5(2,3)9-4(7)6-8/h8H,1-3H3,(H,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O3
Molecular Weight 133.07
AlogP 1.1
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 62.05
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 36016-38-3
NORMAN SUSDAT
FDA SRS GJV9GPX5T3
PubChem 97534
ChemSpider 71974.0