Keyword(s): Human Metabolites
Molecule Category Free-form
UNII T6QV1010K6
EPA CompTox DTXSID30872479

Structure

InChI Key DCXYFEDJOCDNAF-UWTATZPHSA-N
Smiles NC(=O)C[C@@H](N)C(=O)O
InChI
InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8N2O3
Molecular Weight 132.05
AlogP -0.68
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 107.4
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 2058-58-4
NORMAN SUSDAT
FDA SRS T6QV1010K6
PubChem 439600
ChemSpider 388679.0