Molecule

ID:18881

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₄
Molecular Mass
240.25574
Exact Mass
240.111007
Charge
0
InChI
InChI=1S/C11H16N2O4/c1-12-10(17)13(7-8(14)15)9(16)11(12)5-3-2-4-6-11/h2-7H2,1H3,(H,14,15)
InChIKey
XKEJSMNMNFCNDO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1C(=O)N(C2(C1=O)CCCCC2)C
Isomeric Smiles
N1(C(=O)N(C2(C1=O)CCCCC2)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.840433
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1606219
LogD (pH = 7.4)
-2.7408137
Log P
0.50253266
Molar Refractivity
57.9781
Polarizability
22.60945
Polar Surface Area
77.92
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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