Molecule

ID:65280

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₄
Molecular Mass
269.33672
Exact Mass
269.16270822
Charge
0
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-6-4-14(5-7-15)8-10(9-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKey
ASNXCLBPISBIFU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Isomeric Smiles
C12(CCN(CC1)C(=O)OC(C)(C)C)CC(C2)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1133027
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3302806
LogD (pH = 7.4)
-1.3591955
Log P
1.7313342
Molar Refractivity
69.8929
Polarizability
27.52776
Polar Surface Area
66.84
Rotatable Bonds
3
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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