Molecule

ID:90797

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₇NO₅
Molecular Mass
301.37858
Exact Mass
301.18892297
Charge
0
InChI
InChI=1S/C15H27NO5/c1-6-19-15(20-7-2)8-9-16(12(10-15)11-17)13(18)21-14(3,4)5/h11-12H,6-10H2,1-5H3/t12-/m1/s1
InChIKey
UBRBCIWFTCYRNP-GFCCVEGCSA-N
Canonic Smiles
CCOC1(OCC)CCN([C@H](C1)C=O)C(=O)OC(C)(C)C
Isomeric Smiles
O(C1(CCN([C@H](C1)C=O)C(=O)OC(C)(C)C)OCC)CC
Calculated Properties
JChem
Acid pKa
11.264126
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1705685
LogD (pH = 7.4)
2.1705098
Log P
2.1705692
Molar Refractivity
77.957
Polarizability
31.046822
Polar Surface Area
65.07
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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