Molecule

ID:58580

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₄
Molecular Mass
257.32602
Exact Mass
257.16270822
Charge
0
InChI
InChI=1S/C13H23NO4/c1-5-13(10(15)16)6-8-14(9-7-13)11(17)18-12(2,3)4/h5-9H2,1-4H3,(H,15,16)
InChIKey
JEDALECUOKHQDK-UHFFFAOYSA-N
Canonic Smiles
CCC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O
Isomeric Smiles
C1CN(CCC1(C(=O)O)CC)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.547165
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1664245
LogD (pH = 7.4)
-0.6064509
Log P
2.1640081
Molar Refractivity
67.1724
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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