Molecule

ID:50384

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O₃
Molecular Mass
186.20836
Exact Mass
186.10044232
Charge
0
InChI
InChI=1S/C8H14N2O3/c1-9-3-4-10(2)8(13)6(9)5-7(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKey
QIZZTMOGEMLFDI-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(C(=O)C1CC(=O)O)C
Isomeric Smiles
C1(=O)C(N(CCN1C)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.520474
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.4632373
LogD (pH = 7.4)
-3.8628647
Log P
-3.4648235
Molar Refractivity
46.2486
Polarizability
18.0676
Polar Surface Area
60.85
Rotatable Bonds
2
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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