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

Structure

InChI Key ZHRZLXZJVUFLNY-UHFFFAOYSA-N
Smiles O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C)C)C
InChI
InChI=1/C12H22N4O5/c1-5(13)9(17)14-6(2)10(18)15-7(3)11(19)16-8(4)12(20)21/h5-8H,13H2,1-4H3,(H,14,17)(H,15,18)(H,16,19)(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H22N4O5
Molecular Weight 302.16
AlogP 0.45
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 161.09
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 926-79-4
NORMAN SUSDAT