Molecule

ID:52616

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₃
Molecular Mass
216.2774
Exact Mass
216.14739251
Charge
0
InChI
InChI=1S/C10H20N2O3/c1-9(2,3)15-8(14)12-10(7-13)4-5-11-6-10/h11,13H,4-7H2,1-3H3,(H,12,14)
InChIKey
AXNAHFQBVPFTPL-UHFFFAOYSA-N
Canonic Smiles
OCC1(CNCC1)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(NC1(CNCC1)CO)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.966993
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.5348153
LogD (pH = 7.4)
-2.8312542
Log P
-0.31589633
Molar Refractivity
56.2647
Polarizability
22.50289
Polar Surface Area
70.59
Rotatable Bonds
4
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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