Molecule
ID:11663
General Information
Molecular Formula
C₁₄H₂₀N₂O₄
Molecular Mass
280.3196
Exact Mass
280.14230713
Charge
0
InChI
InChI=1S/C14H20N2O4/c1-15(2)6-3-7-16-8-14-5-4-9(20-14)10(13(18)19)11(14)12(16)17/h4-5,9-11H,3,6-8H2,1-2H3,(H,18,19)
InChIKey
LQPOKYQPPSTSHV-UHFFFAOYSA-N
Canonic Smiles
CN(CCCN1CC23C(C1=O)C(C(O3)C=C2)C(=O)O)C
Isomeric Smiles
C12C3(OC(C2C(=O)O)C=C3)CN(C1=O)CCCN(C)C
Calculated Properties
JChem
Acid pKa
3.6683092
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.5015068
LogD (pH = 7.4)
-3.5008383
Log P
-3.4980395
Molar Refractivity
72.836
Polarizability
28.095644
Polar Surface Area
70.08
Rotatable Bonds
5
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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