Molecule

ID:52606

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₃
Molecular Mass
201.26276
Exact Mass
201.13649347
Charge
0
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
InChIKey
HKIGXXRMJFUUKV-QMMMGPOBSA-N
Canonic Smiles
OC[C@H]1CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1[C@@H](CN(C1)C(=O)OC(C)(C)C)CO
Calculated Properties
JChem
Acid pKa
15.428293
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.46596298
LogD (pH = 7.4)
0.46596298
Log P
0.46596298
Molar Refractivity
53.531
Polarizability
20.97339
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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