Molecule

ID:58586

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₄
Molecular Mass
257.32602
Exact Mass
257.16270822
Charge
0
InChI
InChI=1S/C13H23NO4/c1-9(11(15)16)10-5-7-14(8-6-10)12(17)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKey
FZNNOLMIECALJP-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)C1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C1N(CCC(C1)C(C(=O)O)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.0152283
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.40014598
LogD (pH = 7.4)
-1.2552574
Log P
1.895013
Molar Refractivity
67.22
Polarizability
26.41152
Polar Surface Area
66.84
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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