Molecule

ID:19019

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O₃
Molecular Mass
200.23494
Exact Mass
200.11609238
Charge
0
InChI
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11/h4-6H2,1-3H3,(H,10,12)
InChIKey
FCMLWBBLOASUSO-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CC(=O)NCC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.208798
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.18649359
LogD (pH = 7.4)
-0.18649365
Log P
-0.18649359
Molar Refractivity
50.523
Polarizability
19.763334
Polar Surface Area
58.64
Rotatable Bonds
2
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
References
Bioactivity
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