Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6046345

Structure

InChI Key ZDXPYRJPNDTMRX-GSVOUGTGSA-N
Smiles O=C(N)CCC(N)C(=O)O
InChI
InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10N2O3
Molecular Weight 146.07
AlogP -0.29
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 107.4
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 5959-95-5
NORMAN SUSDAT