Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50556163

Structure

InChI Key SNDPXSYFESPGGJ-BYPYZUCNSA-N
Smiles CCC[C@H](N)C(O)=O
InChI
InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O2
Molecular Weight 117.08
AlogP 0.2
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 63.32
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 56558-30-6
NORMAN SUSDAT
PubChem 6950514
ChemSpider 58608.0