Molecule

ID:38749

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₆
Molecular Mass
247.24508
Exact Mass
247.10558727
Charge
0
InChI
InChI=1S/C10H17NO6/c1-5(7(12)13)6(8(14)15)11-9(16)17-10(2,3)4/h5-6H,1-4H3,(H,11,16)(H,12,13)(H,14,15)
InChIKey
HMBGLGONPRHXGP-UHFFFAOYSA-N
Canonic Smiles
CC(C(C(=O)O)NC(=O)OC(C)(C)C)C(=O)O
Isomeric Smiles
C(C(C(=O)O)NC(=O)OC(C)(C)C)(C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6940856
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.270272
LogD (pH = 7.4)
-4.357767
Log P
0.8145604
Molar Refractivity
55.9802
Polarizability
22.317305
Polar Surface Area
112.93
Rotatable Bonds
6
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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