Molecule

ID:131938

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄N₂O₅
Molecular Mass
288.34006
Exact Mass
288.16852188
Charge
0
InChI
InChI=1S/C13H24N2O5/c1-6-8(2)10(11(18)14-7-9(16)17)15-12(19)20-13(3,4)5/h8,10H,6-7H2,1-5H3,(H,14,18)(H,15,19)(H,16,17)
InChIKey
OWJXXJTWCMKBCI-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C(=O)NCC(=O)O)NC(=O)OC(C)(C)C)C
Isomeric Smiles
CCC(C)C(C(=O)NCC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.5830898
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.77149963
LogD (pH = 7.4)
-2.2086995
Log P
1.1401668
Molar Refractivity
71.7704
Polarizability
28.412588
Polar Surface Area
104.73
Rotatable Bonds
8
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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