Molecule

ID:133179

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁N₃O₄
Molecular Mass
259.30214
Exact Mass
259.15320617
Charge
0
InChI
InChI=1S/C11H21N3O4/c1-6(2)4-8(14-10(17)7(3)12)11(18)13-5-9(15)16/h6-8H,4-5,12H2,1-3H3,(H,13,18)(H,14,17)(H,15,16)
InChIKey
MNZHHDPWDWQJCQ-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C(=O)NCC(=O)O)NC(=O)C(N)C)C
Isomeric Smiles
CC(C)CC(C(=O)NCC(=O)O)NC(=O)C(C)N
Calculated Properties
JChem
Acid pKa
3.8287039
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-3.233301
LogD (pH = 7.4)
-3.301062
Log P
-3.2304025
Molar Refractivity
64.2718
Polarizability
25.54827
Polar Surface Area
121.52
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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