Molecule

ID:70962

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄N₂O₄
Molecular Mass
272.34066
Exact Mass
272.17360726
Charge
0
InChI
InChI=1S/C13H24N2O4/c1-5-18-11(16)9-8-15(7-6-10(9)14)12(17)19-13(2,3)4/h9-10H,5-8,14H2,1-4H3
InChIKey
ORRVKLSXTZZGJV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CN(CCC1N)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(C(CC1)N)C(=O)OCC)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5153577
LogD (pH = 7.4)
-1.2679814
Log P
0.41154784
Molar Refractivity
70.5635
Polarizability
28.184807
Polar Surface Area
81.86
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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