Molecule

ID:119827

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₃
Molecular Mass
290.35748
Exact Mass
290.16304257
Charge
0
InChI
InChI=1S/C16H22N2O3/c1-11(2)14(15(19)21-3)17-16(20)18-9-8-12-6-4-5-7-13(12)10-18/h4-7,11,14H,8-10H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKey
GDCXJLSZACPJJZ-AWEZNQCLSA-N
Canonic Smiles
COC(=O)[C@H](C(C)C)NC(=O)N1CCc2c(C1)cccc2
Isomeric Smiles
C(=O)(N1Cc2c(CC1)cccc2)N[C@H](C(=O)OC)C(C)C
Calculated Properties
JChem
Acid pKa
14.8192005
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1516929
LogD (pH = 7.4)
2.1516929
Log P
2.1516929
Molar Refractivity
80.0981
Polarizability
31.126652
Polar Surface Area
58.64
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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