Molecule

ID:36265

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₄
Molecular Mass
268.3089
Exact Mass
268.14230713
Charge
0
InChI
InChI=1S/C13H20N2O4/c1-13(2)8(9(13)12(18)19)11(17)15-5-3-7(4-6-15)10(14)16/h7-9H,3-6H2,1-2H3,(H2,14,16)(H,18,19)
InChIKey
FTRKXRUEJXZQHF-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CCN(CC1)C(=O)C1C(C1(C)C)C(=O)O
Isomeric Smiles
C1(C(C1C(=O)O)C(=O)N1CCC(C(=O)N)CC1)(C)C
Calculated Properties
JChem
Acid pKa
4.2258425
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.0214376
LogD (pH = 7.4)
-3.7428806
Log P
-0.7271612
Molar Refractivity
67.1262
Polarizability
26.25196
Polar Surface Area
100.7
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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