Molecule

ID:54957

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₃
Molecular Mass
187.23618
Exact Mass
187.12084341
Charge
0
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-4-7(5-10)6-11/h7,11H,4-6H2,1-3H3
InChIKey
HXRDRJKAEYHOBB-UHFFFAOYSA-N
Canonic Smiles
OCC1CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(C1)CO)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.389356
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.28247347
LogD (pH = 7.4)
0.28247347
Log P
0.28247347
Molar Refractivity
48.5692
Polarizability
19.142935
Polar Surface Area
49.77
Rotatable Bonds
3
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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