Molecule

ID:69933

General Information
Structure
Molecular Formula
C₁₁H₂₀N₂O₃
Molecular Mass
228.2881
Exact Mass
228.14739251
Charge
0
InChI
InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-5-8(7-13)9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)
InChIKey
APFUDGDIIFSTSD-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(CCC1)C(=O)N)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
16.35472
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5123901
LogD (pH = 7.4)
0.5123901
Log P
0.5123901
Molar Refractivity
59.7386
Polarizability
23.418682
Polar Surface Area
72.63
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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