Molecule

ID:57939

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O₄
Molecular Mass
296.36206
Exact Mass
296.17360726
Charge
0
InChI
InChI=1S/C15H24N2O4/c1-15(2,3)17-9-11(8-12(17)18)13(19)16-6-4-10(5-7-16)14(20)21/h10-11H,4-9H2,1-3H3,(H,20,21)
InChIKey
FBGNNNVCJXWVHL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCN(CC1)C(=O)C1CC(=O)N(C1)C(C)(C)C
Isomeric Smiles
N1(C(=O)CC(C(=O)N2CCC(C(=O)O)CC2)C1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
4.1070933
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.6167847
LogD (pH = 7.4)
-3.3042734
Log P
-0.20980145
Molar Refractivity
77.0436
Polarizability
29.904785
Polar Surface Area
77.92
Rotatable Bonds
3
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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