Molecule

ID:45307

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O₃
Molecular Mass
186.20836
Exact Mass
186.10044232
Charge
0
InChI
InChI=1S/C8H14N2O3/c1-2-10-4-3-9-8(13)6(10)5-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKey
ABYNBFSWYQFXRA-UHFFFAOYSA-N
Canonic Smiles
CCN1CCNC(=O)C1CC(=O)O
Isomeric Smiles
C1(C(=O)NCCN1CC)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.508544
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.3839796
LogD (pH = 7.4)
-3.699289
Log P
-3.38745
Molar Refractivity
46.1005
Polarizability
18.0676
Polar Surface Area
69.64
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
No Data Available
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Molecule Details
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References
Bioactivity
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