Molecule

ID:135770

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O₄
Molecular Mass
266.29302
Exact Mass
266.12665707
Charge
0
InChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(7-11(16)17)9-5-4-6-14-8-9/h4-6,8,10H,7H2,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1
InChIKey
GQWRNLFTLLZYBJ-SNVBAGLBSA-N
Canonic Smiles
OC(=O)C[C@H](c1cccnc1)NC(=O)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccnc1
Calculated Properties
JChem
Acid pKa
3.9996297
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.23594943
LogD (pH = 7.4)
-1.8856426
Log P
0.3208738
Molar Refractivity
67.7017
Polarizability
26.632677
Polar Surface Area
88.52
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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