Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D464344F6N
EPA CompTox DTXSID5061297

Structure

InChI Key LOESDOAIWSCMKM-UHFFFAOYSA-N
Smiles NC(=O)CCCO
InChI
InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9N1O2
Molecular Weight 103.06
AlogP 0.29
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 64.31
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 927-60-6
NORMAN SUSDAT
FDA SRS D464344F6N
PubChem 13562
ChemSpider 12973.0