Keyword(s): Natural Toxins
Molecule Category Free-form
UNII 61HPH2F0W7
EPA CompTox DTXSID20938710

Structure

InChI Key OGNSCSPNOLGXSM-VKHMYHEASA-O
Smiles C(CN)C(C(=O)O)N
InChI
InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/p+1/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10N2O2
Molecular Weight 119.08
AlogP -1.97
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 90.96
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1758-80-1
NORMAN SUSDAT
FDA SRS 61HPH2F0W7
PubChem 134490
ChemSpider 457.0