Molecule

ID:39166

General Information
Structure
Molecular Formula
C₁₂H₂₃NO₅
Molecular Mass
261.31472
Exact Mass
261.15762284
Charge
0
InChI
InChI=1S/C12H23NO5/c1-7(2)6-8(9(14)10(15)16)13-11(17)18-12(3,4)5/h7-9,14H,6H2,1-5H3,(H,13,17)(H,15,16)/t8-,9+/m0/s1
InChIKey
DJZCWTDKDFJARG-DTWKUNHWSA-N
Canonic Smiles
CC(C[C@@H]([C@H](C(=O)O)O)NC(=O)OC(C)(C)C)C
Isomeric Smiles
[C@H]([C@H](CC(C)C)NC(=O)OC(C)(C)C)(O)C(=O)O
Calculated Properties
JChem
Acid pKa
4.0984516
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.12194074
LogD (pH = 7.4)
-1.5627507
Log P
1.5371612
Molar Refractivity
65.0064
Polarizability
25.964214
Polar Surface Area
95.86
Rotatable Bonds
7
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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