Molecule
ID:119236
General Information
Molecular Formula
C₁₅H₂₀N₂O₆
Molecular Mass
324.3291
Exact Mass
324.13213637
Charge
0
InChI
InChI=1S/C15H20N2O6/c1-2-22-13(19)8-16-14(20)12(9-18)17-15(21)23-10-11-6-4-3-5-7-11/h3-7,12,18H,2,8-10H2,1H3,(H,16,20)(H,17,21)/t12-/m0/s1
InChIKey
ZOONJGSLKPDXCV-LBPRGKRZSA-N
Canonic Smiles
CCOC(=O)CNC(=O)[C@@H](NC(=O)OCc1ccccc1)CO
Isomeric Smiles
[C@H](C(=O)NCC(=O)OCC)(NC(=O)OCc1ccccc1)CO
Calculated Properties
JChem
Acid pKa
12.128754
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.065591745
LogD (pH = 7.4)
-0.065598845
Log P
-0.065591656
Molar Refractivity
80.0422
Polarizability
31.511522
Polar Surface Area
113.96
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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