Molecule

ID:59249

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₄
Molecular Mass
243.29944
Exact Mass
243.14705816
Charge
0
InChI
InChI=1S/C12H21NO4/c1-7(2)10-8(14)6-9(15)13(10)11(16)17-12(3,4)5/h7-8,10,14H,6H2,1-5H3/t8?,10-/m0/s1
InChIKey
CTIQWEXQRFSHLG-HTLJXXAVSA-N
Canonic Smiles
CC([C@H]1C(O)CC(=O)N1C(=O)OC(C)(C)C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)C(=O)CC([C@@H]1C(C)C)O
Calculated Properties
JChem
Acid pKa
14.31716
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4673239
LogD (pH = 7.4)
1.4673238
Log P
1.4673239
Molar Refractivity
61.8749
Polarizability
24.755476
Polar Surface Area
66.84
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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