Molecule

ID:62101

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅N₃O₃
Molecular Mass
271.3559
Exact Mass
271.18959168
Charge
0
InChI
InChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)15-8-10-6-5-9(16-10)7-11(17)14-4/h9-10,16H,5-8H2,1-4H3,(H,14,17)(H,15,18)/t9-,10+/m1/s1
InChIKey
HFYCXAPMSXKRCY-ZJUUUORDSA-N
Canonic Smiles
CNC(=O)C[C@H]1CC[C@H](N1)CNC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(NC[C@H]1N[C@@H](CC(=O)NC)CC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.017465
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.0541692
LogD (pH = 7.4)
-2.2777658
Log P
0.15929621
Molar Refractivity
71.9005
Polarizability
28.612335
Polar Surface Area
79.46
Rotatable Bonds
6
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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