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

Structure

InChI Key GFXWTYYPYYHXDK-GLDVEYQJSA-N
Smiles CC1C(C(C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)C1C)O)C
InChI
InChI=1S/C17H25NO5/c1-9-10(2)15(19)17(21)22-8-12-4-6-18-7-5-13(14(12)18)23-16(20)11(9)3/h4,9-11,13-15,19H,5-8H2,1-3H3/t9?,10?,11?,13-,14-,15?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H25N1O5
Molecular Weight 323.17
AlogP 0.74
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Polar Surface Area 76.07
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 71295-28-8
NORMAN SUSDAT