Molecule

ID:90697

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₄N₂O₃
Molecular Mass
256.34126
Exact Mass
256.17869264
Charge
0
InChI
InChI=1S/C13H24N2O3/c1-5-11(16)14-10-7-6-8-15(9-10)12(17)18-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKey
LUDHQJVAKIUFLX-JTQLQIEISA-N
Canonic Smiles
CCC(=O)N[C@H]1CCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CCC[C@@H](C1)NC(=O)CC)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.804979
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.278277
LogD (pH = 7.4)
1.2782778
Log P
1.2782778
Molar Refractivity
68.9202
Polarizability
27.082884
Polar Surface Area
58.64
Rotatable Bonds
4
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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