Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H3LU76GJW7

Structure

InChI Key QJPWUUJVYOJNMH-VKHMYHEASA-N
Smiles N[C@H]1CCOC1=O
InChI
InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7N1O2
Molecular Weight 101.05
AlogP -0.74
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 52.32
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 116183-82-5
NORMAN SUSDAT
FDA SRS H3LU76GJW7
PubChem 445963
ChemSpider 393441.0