Molecule

ID:65292

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O₃
Molecular Mass
226.27222
Exact Mass
226.13174245
Charge
0
InChI
InChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-6-11(7-13)4-8(14)12-5-11/h4-7H2,1-3H3,(H,12,14)
InChIKey
IRALTYPUIGPWFA-UHFFFAOYSA-N
Canonic Smiles
O=C1NCC2(C1)CN(C2)C(=O)OC(C)(C)C
Isomeric Smiles
C12(CNC(=O)C1)CN(C2)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.47895
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.27070937
LogD (pH = 7.4)
-0.27070925
Log P
-0.27070922
Molar Refractivity
57.8429
Polarizability
22.705963
Polar Surface Area
58.64
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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