Molecule

ID:52597

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₅
Molecular Mass
245.27226
Exact Mass
245.12632271
Charge
0
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKey
MZMNEDXVUJLQAF-SFYZADRCSA-N
Canonic Smiles
COC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)O
Isomeric Smiles
C(=O)([C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)O)OC
Calculated Properties
JChem
Acid pKa
14.790254
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.18424809
LogD (pH = 7.4)
0.18424807
Log P
0.18424809
Molar Refractivity
59.1464
Polarizability
23.672804
Polar Surface Area
76.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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