Molecule
ID:121734
General Information
Molecular Formula
C₁₁H₂₀N₂O₄
Molecular Mass
244.2875
Exact Mass
244.14230713
Charge
0
InChI
InChI=1S/C11H20N2O4/c1-12-4-6-13(7-5-12)9(11(15)17-3)8-10(14)16-2/h9H,4-8H2,1-3H3
InChIKey
BLNNPVDNQHUGIE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(N1CCN(CC1)C)CC(=O)OC
Isomeric Smiles
N1(C(CC(=O)OC)C(=O)OC)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-2.4664109
LogD (pH = 7.4)
-0.7555252
Log P
-0.26598722
Molar Refractivity
62.1903
Polarizability
24.897724
Polar Surface Area
59.08
Rotatable Bonds
6
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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