Molecule

ID:65934

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆N₂O₃
Molecular Mass
258.35714
Exact Mass
258.1943427
Charge
0
InChI
InChI=1S/C13H26N2O3/c1-10(16)9-15-7-5-11(6-8-15)14-12(17)18-13(2,3)4/h10-11,16H,5-9H2,1-4H3,(H,14,17)
InChIKey
RILCRPPNPSBVRQ-UHFFFAOYSA-N
Canonic Smiles
CC(CN1CCC(CC1)NC(=O)OC(C)(C)C)O
Isomeric Smiles
C1CN(CCC1NC(=O)OC(C)(C)C)CC(C)O
Calculated Properties
JChem
Acid pKa
14.964752
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.3070245
LogD (pH = 7.4)
-0.568067
Log P
0.6199177
Molar Refractivity
70.954
Polarizability
28.005745
Polar Surface Area
61.8
Rotatable Bonds
5
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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