Molecule
ID:121736
General Information
Molecular Formula
C₁₆H₂₂N₂O₄
Molecular Mass
306.35688
Exact Mass
306.15795719
Charge
0
InChI
InChI=1S/C16H22N2O4/c1-2-17-7-3-4-10(17)8-18-9-16-6-5-11(22-16)12(15(20)21)13(16)14(18)19/h5-6,10-13H,2-4,7-9H2,1H3,(H,20,21)
InChIKey
VFTQFIAOSCQNOF-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC1CN1CC23C(C1=O)C(C(O3)C=C2)C(=O)O
Isomeric Smiles
C12C3(OC(C2C(=O)O)C=C3)CN(C1=O)CC1N(CCC1)CC
Calculated Properties
JChem
Acid pKa
3.8584836
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.7390432
LogD (pH = 7.4)
-2.750178
Log P
-2.734046
Molar Refractivity
79.9304
Polarizability
31.041601
Polar Surface Area
70.08
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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