Molecule

ID:64017

General Information
Structure
Molecular Formula
C₁₃H₂₁NO₅
Molecular Mass
271.30954
Exact Mass
271.14197278
Charge
0
InChI
InChI=1S/C13H21NO5/c1-5-18-11(16)9-6-7-14(8-10(9)15)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3
InChIKey
WCTXJAXKORIYNA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1=O)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(=O)C(CC1)C(=O)OCC)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
10.191331
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3622986
LogD (pH = 7.4)
1.3616152
Log P
1.3623073
Molar Refractivity
68.0289
Polarizability
26.782541
Polar Surface Area
72.91
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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