Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G5H9PK5HEK
EPA CompTox DTXSID60197980

Structure

InChI Key PZUOEYPTQJILHP-GBXIJSLDSA-N
Smiles C[C@@H](O)[C@H](N)C(=O)N
InChI
InChI=1S/C4H10N2O2/c1-2(7)3(5)4(6)8/h2-3,7H,5H2,1H3,(H2,6,8)/t2-,3+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10N2O2
Molecular Weight 118.07
AlogP -0.77
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 90.33
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 49705-99-9
NORMAN SUSDAT
FDA SRS G5H9PK5HEK
PubChem 444078
ChemSpider 4257145.0