Molecule

ID:65948

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅N₃O₄
Molecular Mass
311.3767
Exact Mass
311.1845063
Charge
0
InChI
InChI=1S/C15H25N3O4/c1-13(2,3)21-11(19)17-15(9-16)7-8-18(10-15)12(20)22-14(4,5)6/h7-8,10H2,1-6H3,(H,17,19)
InChIKey
HMAYGCDQNLVYHL-UHFFFAOYSA-N
Canonic Smiles
N#CC1(CCN(C1)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(CC1)(NC(=O)OC(C)(C)C)C#N)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
9.338784
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4976536
LogD (pH = 7.4)
1.4933075
Log P
1.4977094
Molar Refractivity
80.1816
Polarizability
31.356289
Polar Surface Area
91.66
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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