Molecule

ID:120318

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄N₂O₃
Molecular Mass
256.34126
Exact Mass
256.17869264
Charge
0
InChI
InChI=1S/C13H24N2O3/c1-4-10(2)11(12(16)18-3)14-13(17)15-8-6-5-7-9-15/h10-11H,4-9H2,1-3H3,(H,14,17)/t10-,11+/m1/s1
InChIKey
CZAXIYXHMXDHJR-MNOVXSKESA-N
Canonic Smiles
CC[C@H]([C@@H](C(=O)OC)NC(=O)N1CCCCC1)C
Isomeric Smiles
C(=O)(N[C@H](C(=O)OC)[C@@H](CC)C)N1CCCCC1
Calculated Properties
JChem
Acid pKa
15.002829
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6822658
LogD (pH = 7.4)
1.682266
Log P
1.682266
Molar Refractivity
68.9189
Polarizability
27.082884
Polar Surface Area
58.64
Rotatable Bonds
5
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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