Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 62GP7W651S
EPA CompTox DTXSID20276427

Structure

InChI Key BJBUEDPLEOHJGE-IMJSIDKUSA-N
Smiles O=C(O)C1NCCC1O
InChI
InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9N1O3
Molecular Weight 131.06
AlogP -1.21
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 69.56
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 14916-76-8
NORMAN SUSDAT
FDA SRS 62GP7W651S
ChemSpider 9312313.0