Molecule

ID:88266

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₄
Molecular Mass
231.28874
Exact Mass
231.14705816
Charge
0
InChI
InChI=1S/C11H21NO4/c1-7(2)8(9(13)14)6-12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKey
IGJIQZVMCRTQQX-MRVPVSSYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC[C@@H](C(=O)O)C(C)C
Isomeric Smiles
N(C[C@H](C(C)C)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.6046257
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.909825
LogD (pH = 7.4)
-0.86633974
Log P
1.8562086
Molar Refractivity
59.2999
Polarizability
23.466265
Polar Surface Area
75.63
Rotatable Bonds
6
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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