Molecule

ID:19342

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₄
Molecular Mass
214.21846
Exact Mass
214.09535694
Charge
0
InChI
InChI=1S/C9H14N2O4/c1-3-9(4-2)7(14)11(5-6(12)13)8(15)10-9/h3-5H2,1-2H3,(H,10,15)(H,12,13)
InChIKey
BKCYHQOVVIWYSH-UHFFFAOYSA-N
Canonic Smiles
CCC1(CC)NC(=O)N(C1=O)CC(=O)O
Isomeric Smiles
N1(C(=O)NC(C1=O)(CC)CC)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.8205009
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3843843
LogD (pH = 7.4)
-2.9548683
Log P
0.29801384
Molar Refractivity
50.2826
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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