Molecule

ID:113934

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O₃
Molecular Mass
200.23494
Exact Mass
200.11609238
Charge
0
InChI
InChI=1S/C9H16N2O3/c1-8(12)11-6-4-10(5-7-11)3-2-9(13)14/h2-7H2,1H3,(H,13,14)
InChIKey
PQMOJMGTJRRLHL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1CCN(CC1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CCN(CCC(=O)O)CC1
Calculated Properties
JChem
Acid pKa
3.6233408
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.6695554
LogD (pH = 7.4)
-3.8352056
Log P
-3.6723347
Molar Refractivity
51.0934
Polarizability
19.891874
Polar Surface Area
60.85
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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