Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60223738

Structure

InChI Key DSUAJFIEKRKPEE-VKHMYHEASA-N
Smiles C#C[C@H](N)C(=O)O
InChI
InChI=1S/C4H5NO2/c1-2-3(5)4(6)7/h1,3H,5H2,(H,6,7)/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5NO2
Molecular Weight 99.03
AlogP -0.97
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 63.32
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 73537-09-4
NORMAN SUSDAT
PubChem 175496