Molecule

ID:58166

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₇N₃O₃
Molecular Mass
297.39318
Exact Mass
297.20524174
Charge
0
InChI
InChI=1S/C15H27N3O3/c1-15(2,3)21-13(19)16-12-6-10-18(11-7-12)14(20)17-8-4-5-9-17/h12H,4-11H2,1-3H3,(H,16,19)
InChIKey
VEADDTRQRUBZFU-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC1CCN(CC1)C(=O)N1CCCC1
Isomeric Smiles
C1N(CCC(C1)NC(=O)OC(C)(C)C)C(=O)N1CCCC1
Calculated Properties
JChem
Acid pKa
15.098246
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.63994277
LogD (pH = 7.4)
0.63994306
Log P
0.63994306
Molar Refractivity
80.5252
Polarizability
31.183937
Polar Surface Area
61.88
Rotatable Bonds
3
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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