Molecule

ID:5959

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₃O₃
Molecular Mass
241.28686
Exact Mass
241.14264148
Charge
0
InChI
InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m1/s1
InChIKey
PARUDDGQWSBIIO-MRVPVSSYSA-N
Canonic Smiles
CC([C@H](c1ocnn1)NC(=O)OC(C)(C)C)C
Isomeric Smiles
c1oc([C@H](NC(=O)OC(C)(C)C)C(C)C)nn1
Calculated Properties
JChem
Acid pKa
12.905789
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1019772
LogD (pH = 7.4)
1.101976
Log P
1.1019772
Molar Refractivity
63.1465
Polarizability
23.985577
Polar Surface Area
77.25
Rotatable Bonds
5
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.2
LOG S
-2.69
Solubility (Water)
4.90e-01 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