Molecule

ID:51924

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₃
Molecular Mass
213.27346
Exact Mass
213.13649347
Charge
0
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-4-7-8(5-12)9(7)6-13/h7-9,13H,4-6H2,1-3H3/t7-,8+,9+
InChIKey
JVIDPFGQYMFQDZ-BRPSZJMVSA-N
Canonic Smiles
OC[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C
Isomeric Smiles
[C@@H]12[C@@H]([C@H]1CO)CN(C(=O)OC(C)(C)C)C2
Calculated Properties
JChem
Acid pKa
15.448442
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.24605735
LogD (pH = 7.4)
0.24605735
Log P
0.24605735
Molar Refractivity
56.1698
Polarizability
22.089521
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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