Molecule
ID:43449
General Information
Molecular Formula
C₁₄H₂₂N₂O₅
Molecular Mass
298.33488
Exact Mass
298.15287181
Charge
0
InChI
InChI=1S/C14H22N2O5/c1-14(2,3)21-13(20)16-6-4-15(5-7-16)11(17)9-8-10(9)12(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)
InChIKey
IXEURNCUEORGCA-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC1C(=O)O)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C1(C(C1)C(=O)O)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1
Calculated Properties
JChem
Acid pKa
3.9418578
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3985115
LogD (pH = 7.4)
-3.0245962
Log P
0.16686924
Molar Refractivity
73.6489
Polarizability
28.821854
Polar Surface Area
87.15
Rotatable Bonds
4
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
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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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