Molecule

ID:21497

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₂O₄
Molecular Mass
200.19188
Exact Mass
200.07970687
Charge
0
InChI
InChI=1S/C8H12N2O4/c11-6-5-10(4-3-9-6)7(12)1-2-8(13)14/h1-5H2,(H,9,11)(H,13,14)
InChIKey
MGEFIOXTZYMZPX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)N1CCNC(=O)C1
Isomeric Smiles
N1(C(=O)CCC(=O)O)CC(=O)NCC1
Calculated Properties
JChem
Acid pKa
4.15502
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.3962257
LogD (pH = 7.4)
-5.0984335
Log P
-2.0348816
Molar Refractivity
45.9871
Polarizability
17.867834
Polar Surface Area
86.71
Rotatable Bonds
3
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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