Molecule

ID:36249

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₄
Molecular Mass
268.3089
Exact Mass
268.14230713
Charge
0
InChI
InChI=1S/C13H20N2O4/c1-8(16)14-4-6-15(7-5-14)11(17)9-10(12(18)19)13(9,2)3/h9-10H,4-7H2,1-3H3,(H,18,19)
InChIKey
KKWLWXWVUPRSIJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCN(CC1)C(=O)C1C(C1(C)C)C(=O)O
Isomeric Smiles
C1(C(C1C(=O)O)C(=O)N1CCN(C(=O)C)CC1)(C)C
Calculated Properties
JChem
Acid pKa
4.1649275
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.2712593
LogD (pH = 7.4)
-3.9763336
Log P
-0.91931534
Molar Refractivity
67.2434
Polarizability
26.25196
Polar Surface Area
77.92
Rotatable Bonds
2
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