Molecule

ID:36241

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂N₂O₃
Molecular Mass
254.32538
Exact Mass
254.16304257
Charge
0
InChI
InChI=1S/C13H22N2O3/c1-4-14-5-7-15(8-6-14)11(16)9-10(12(17)18)13(9,2)3/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKey
UGBXREDCGDEDJZ-UHFFFAOYSA-N
Canonic Smiles
CCN1CCN(CC1)C(=O)C1C(C1(C)C)C(=O)O
Isomeric Smiles
C1(C(C1C(=O)O)C(=O)N1CCN(CC1)CC)(C)C
Calculated Properties
JChem
Acid pKa
4.1000743
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3879273
LogD (pH = 7.4)
-2.7077804
Log P
-2.393737
Molar Refractivity
67.7208
Polarizability
26.497253
Polar Surface Area
60.85
Rotatable Bonds
3
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
暂无数据
点击上传数据
References
Bioactivity
Navigation