Molecule

ID:63472

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)11-8-4-7(5-8)6-12/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8+
InChIKey
PCPNTJQMXAHNOA-OCAPTIKFSA-N
Canonic Smiles
OC[C@@H]1C[C@@H](C1)NC(=O)OC(C)(C)C
Isomeric Smiles
C1[C@@H](C[C@@H]1NC(=O)OC(C)(C)C)CO
Calculated Properties
JChem
Acid pKa
14.986256
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.7050659
LogD (pH = 7.4)
0.7050659
Log P
0.7050659
Molar Refractivity
53.0043
Polarizability
20.97339
Polar Surface Area
58.56
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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