Molecule

ID:63680

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁NO₆
Molecular Mass
287.30894
Exact Mass
287.1368874
Charge
0
InChI
InChI=1S/C13H21NO6/c1-13(2,3)20-12(18)14-6-5-8(10(15)16)7-9(14)11(17)19-4/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKey
VPZOZPSOJLQFGC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CC(CCN1C(=O)OC(C)(C)C)C(=O)O
Isomeric Smiles
COC(=O)C1CC(C(=O)O)CCN1C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.2313333
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.2898183
LogD (pH = 7.4)
-2.012635
Log P
0.9992589
Molar Refractivity
68.6694
Polarizability
27.29343
Polar Surface Area
93.14
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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