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

Structure

InChI Key QAWKDPXGVJMDHM-QMMMGPOBSA-N
Smiles Cn1cnc(C[C@H](N)C(=O)OC(=O)CCN)c1
InChI
InChI=1S/C10H16N4O3/c1-14-5-7(13-6-14)4-8(12)10(16)17-9(15)2-3-11/h5-6,8H,2-4,11-12H2,1H3/t8-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16N4O3
Molecular Weight 240.12
AlogP -1.29
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 113.23
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 331-38-4
NORMAN SUSDAT