Molecule

ID:122485

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₄
Molecular Mass
214.21846
Exact Mass
214.09535694
Charge
0
InChI
InChI=1S/C9H14N2O4/c1-5(2)4-11-6(3-7(12)13)8(14)10-9(11)15/h5-6H,3-4H2,1-2H3,(H,12,13)(H,10,14,15)
InChIKey
XQYCOFGPCMKEDN-UHFFFAOYSA-N
Canonic Smiles
CC(CN1C(=O)NC(=O)C1CC(=O)O)C
Isomeric Smiles
C1(=O)NC(=O)C(N1CC(C)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.2284923
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3470548
LogD (pH = 7.4)
-3.0698354
Log P
-0.055288892
Molar Refractivity
50.2163
Polarizability
19.678495
Polar Surface Area
86.71
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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