Molecule
ID:122484
General Information
Molecular Formula
C₈H₁₂N₂O₄
Molecular Mass
200.19188
Exact Mass
200.07970687
Charge
0
InChI
InChI=1S/C8H12N2O4/c1-4(2)10-5(3-6(11)12)7(13)9-8(10)14/h4-5H,3H2,1-2H3,(H,11,12)(H,9,13,14)
InChIKey
CLXSRLIXGDEGAQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1C(=O)NC(=O)N1C(C)C
Isomeric Smiles
C1(=O)NC(=O)C(N1C(C)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.132794
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.9087012
LogD (pH = 7.4)
-3.604934
Log P
-0.5262091
Molar Refractivity
45.6395
Polarizability
17.867834
Polar Surface Area
86.71
Rotatable Bonds
3
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
No Data Available
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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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