Molecule

ID:70946

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₄
Molecular Mass
203.23558
Exact Mass
203.11575803
Charge
0
InChI
InChI=1S/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12)/t6-/m0/s1
InChIKey
GJDICGOCZGRDFM-LURJTMIESA-N
Canonic Smiles
COC(=O)[C@@H](NC(=O)OC(C)(C)C)C
Isomeric Smiles
C(=O)([C@@H](NC(=O)OC(C)(C)C)C)OC
Calculated Properties
JChem
Acid pKa
13.468555
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0592802
LogD (pH = 7.4)
1.0592798
Log P
1.0592802
Molar Refractivity
50.1394
Polarizability
20.054482
Polar Surface Area
64.63
Rotatable Bonds
5
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
No Data Available
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Molecule Details
References
Bioactivity
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