Molecule

ID:38748

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₆
Molecular Mass
261.27166
Exact Mass
261.12123733
Charge
0
InChI
InChI=1S/C11H19NO6/c1-11(2,3)18-10(17)12-7(9(15)16)5-4-6-8(13)14/h7H,4-6H2,1-3H3,(H,12,17)(H,13,14)(H,15,16)/t7-/m0/s1
InChIKey
QDTDLMJRZPSKDM-ZETCQYMHSA-N
Canonic Smiles
OC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCC(=O)O
Isomeric Smiles
C(CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4399433
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.4180417
LogD (pH = 7.4)
-5.503157
Log P
1.004804
Molar Refractivity
60.7617
Polarizability
24.128103
Polar Surface Area
112.93
Rotatable Bonds
8
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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