Molecule

ID:30902

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O₃
Molecular Mass
186.20836
Exact Mass
186.10044232
Charge
0
InChI
InChI=1S/C8H14N2O3/c9-7(11)5-10-3-1-2-6(4-10)8(12)13/h6H,1-5H2,(H2,9,11)(H,12,13)
InChIKey
PQYDPAMZRKIGBY-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CN1CCCC(C1)C(=O)O
Isomeric Smiles
C1(C(=O)O)CN(CC(=O)N)CCC1
Calculated Properties
JChem
Acid pKa
3.471763
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.6156204
LogD (pH = 7.4)
-3.6923072
Log P
-3.6157978
Molar Refractivity
46.1228
Polarizability
18.0676
Polar Surface Area
83.63
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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