Molecule

ID:68098

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₃
Molecular Mass
215.28934
Exact Mass
215.15214354
Charge
0
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9-
InChIKey
DQARDWKWPIRJEH-KYZUINATSA-N
Canonic Smiles
O[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N[C@H]1CC[C@@H](CC1)O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.947499
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2791905
LogD (pH = 7.4)
1.2791905
Log P
1.2791905
Molar Refractivity
57.4755
Polarizability
22.806097
Polar Surface Area
58.56
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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