Molecule

ID:24996

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₃
Molecular Mass
228.2881
Exact Mass
228.14739251
Charge
0
InChI
InChI=1S/C11H20N2O3/c1-6(2)9-11(3,4)7(5-8(14)15)12-10(16)13-9/h6-7,9H,5H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKey
ZBAUWHVYDITMCK-UHFFFAOYSA-N
Canonic Smiles
CC(C1NC(=O)NC(C1(C)C)CC(=O)O)C
Isomeric Smiles
C1(C(NC(=O)NC1C(C)C)CC(=O)O)(C)C
Calculated Properties
JChem
Acid pKa
4.672608
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.13568373
LogD (pH = 7.4)
-1.6421367
Log P
1.0224615
Molar Refractivity
58.4603
Polarizability
23.17595
Polar Surface Area
78.43
Rotatable Bonds
3
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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