Molecule

ID:38119

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₃
Molecular Mass
201.26276
Exact Mass
201.13649347
Charge
0
InChI
InChI=1S/C10H19NO3/c1-9(2,3)14-8(13)11-10(7-12)5-4-6-10/h12H,4-7H2,1-3H3,(H,11,13)
InChIKey
CLRGYDRXIYIAHC-UHFFFAOYSA-N
Canonic Smiles
OCC1(CCC1)NC(=O)OC(C)(C)C
Isomeric Smiles
C1CCC1(CO)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.140325
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.0104384
LogD (pH = 7.4)
1.0104383
Log P
1.0104384
Molar Refractivity
52.7859
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
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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