Molecule

ID:52999

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₄
Molecular Mass
294.34618
Exact Mass
294.15795719
Charge
0
InChI
InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)17-12(10-18)13(19)16-9-11-7-5-4-6-8-11/h4-8,12,18H,9-10H2,1-3H3,(H,16,19)(H,17,20)/t12-/m1/s1
InChIKey
CTFYHNRRPGOYJS-GFCCVEGCSA-N
Canonic Smiles
OC[C@H](C(=O)NCc1ccccc1)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)([C@H](NC(=O)OC(C)(C)C)CO)NCc1ccccc1
Calculated Properties
JChem
Acid pKa
13.40418
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.0076827
LogD (pH = 7.4)
1.0076823
Log P
1.0076827
Molar Refractivity
78.2455
Polarizability
30.657959
Polar Surface Area
87.66
Rotatable Bonds
7
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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