Molecule

ID:113936

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O₄
Molecular Mass
202.20776
Exact Mass
202.09535694
Charge
0
InChI
InChI=1S/C8H14N2O4/c11-6-5-9-1-3-10(4-2-9)7(12)8(13)14/h11H,1-6H2,(H,13,14)
InChIKey
ABBUFXWJBRTBBA-UHFFFAOYSA-N
Canonic Smiles
OCCN1CCN(CC1)C(=O)C(=O)O
Isomeric Smiles
C(=O)(N1CCN(CC1)CCO)C(=O)O
Calculated Properties
JChem
Acid pKa
2.6641734
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-4.1932445
LogD (pH = 7.4)
-4.729568
Log P
-4.17693
Molar Refractivity
48.3966
Polarizability
18.755001
Polar Surface Area
81.08
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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