Molecule

ID:30234

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O₃
Molecular Mass
200.23494
Exact Mass
200.11609238
Charge
0
InChI
InChI=1S/C9H16N2O3/c10-9(14)7-1-4-11(5-2-7)6-3-8(12)13/h7H,1-6H2,(H2,10,14)(H,12,13)
InChIKey
KFCWBIQTSONMFF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1CCC(CC1)C(=O)N
Isomeric Smiles
C(=O)(C1CCN(CCC(=O)O)CC1)N
Calculated Properties
JChem
Acid pKa
3.6230896
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.5629325
LogD (pH = 7.4)
-3.561275
Log P
-3.5595188
Molar Refractivity
50.9762
Polarizability
19.891874
Polar Surface Area
83.63
Rotatable Bonds
4
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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