Molecule

ID:63986

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁NO₅
Molecular Mass
271.30954
Exact Mass
271.14197278
Charge
0
InChI
InChI=1S/C13H21NO5/c1-5-18-11(16)10-9(15)7-6-8-14(10)12(17)19-13(2,3)4/h10H,5-8H2,1-4H3
InChIKey
GEBLXHUPYRYFEX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1C(=O)CCCN1C(=O)OC(C)(C)C
Isomeric Smiles
C1CCN(C(=O)OC(C)(C)C)C(C(=O)OCC)C1=O
Calculated Properties
JChem
Acid pKa
7.621617
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8520123
LogD (pH = 7.4)
1.651262
Log P
1.6219465
Molar Refractivity
67.7173
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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