Molecule

ID:58581

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO₄
Molecular Mass
271.3526
Exact Mass
271.17835829
Charge
0
InChI
InChI=1S/C14H25NO4/c1-5-6-14(11(16)17)7-9-15(10-8-14)12(18)19-13(2,3)4/h5-10H2,1-4H3,(H,16,17)
InChIKey
XGKHJZQIVNPLSM-UHFFFAOYSA-N
Canonic Smiles
CCCC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O
Isomeric Smiles
C1CN(CCC1(CCC)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.5963864
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6548955
LogD (pH = 7.4)
-0.12090419
Log P
2.6085768
Molar Refractivity
71.7734
Polarizability
28.24244
Polar Surface Area
66.84
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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