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

Structure

InChI Key QWCKQJZIFLGMSD-GSVOUGTGSA-N
Smiles CCC(C(=O)O)N
InChI
InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9NO2
Molecular Weight 103.06
AlogP -0.19
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 63.32
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 2623-91-8
NORMAN SUSDAT