Molecule

ID:70877

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₂
Molecular Mass
200.278
Exact Mass
200.15247789
Charge
0
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKey
WUOQXNWMYLFAHT-QMMMGPOBSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@H]1CCCNC1
Isomeric Smiles
N1C[C@H](CCC1)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.962428
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.207441
LogD (pH = 7.4)
-1.1248345
Log P
0.96779966
Molar Refractivity
54.7274
Polarizability
21.854008
Polar Surface Area
50.36
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation