Molecule

ID:5336

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₅
Molecular Mass
245.27226
Exact Mass
245.12632271
Charge
0
InChI
InChI=1S/C11H19NO5/c1-7(13)8(6-9(14)16-5)12-10(15)17-11(2,3)4/h8H,6H2,1-5H3,(H,12,15)/t8-/m0/s1
InChIKey
QKEQESWFLCEUCV-QMMMGPOBSA-N
Canonic Smiles
COC(=O)C[C@@H](C(=O)C)NC(=O)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)N[C@H](C(=O)C)CC(=O)OC
Calculated Properties
JChem
Acid pKa
13.480118
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.74709374
LogD (pH = 7.4)
0.74709344
Log P
0.74709374
Molar Refractivity
59.7259
Polarizability
23.8425
Polar Surface Area
81.7
Rotatable Bonds
7
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.35
LOG S
-2.05
Solubility (Water)
2.18e+00 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation