Molecule

ID:19347

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₄
Molecular Mass
240.25574
Exact Mass
240.111007
Charge
0
InChI
InChI=1S/C11H16N2O4/c1-7-2-4-11(5-3-7)9(16)13(6-8(14)15)10(17)12-11/h7H,2-6H2,1H3,(H,12,17)(H,14,15)
InChIKey
JDHLGQPYECBZSL-UHFFFAOYSA-N
Canonic Smiles
CC1CCC2(CC1)NC(=O)N(C2=O)CC(=O)O
Isomeric Smiles
N1(C(=O)NC2(C1=O)CCC(CC2)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.8404348
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0972776
LogD (pH = 7.4)
-2.6775038
Log P
0.5658757
Molar Refractivity
57.63
Polarizability
22.60945
Polar Surface Area
86.71
Rotatable Bonds
2
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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