Molecule

ID:133021

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₃O₄
Molecular Mass
245.27556
Exact Mass
245.1375561
Charge
0
InChI
InChI=1S/C10H19N3O4/c1-6(2)3-7(11)10(17)13-4-8(14)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,17)(H,15,16)/t7-/m0/s1
InChIKey
VWHGTYCRDRBSFI-ZETCQYMHSA-N
Canonic Smiles
CC(C[C@@H](C(=O)NCC(=O)NCC(=O)O)N)C
Isomeric Smiles
CC(C)C[C@@H](C(=O)NCC(=O)NCC(=O)O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-3.87
LogD (pH = 5.5)
-3.80
Log P
-3.80
Rotatable Bonds
7
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
3.39
Polar Surface Area
121.52
Polarizability
25.19
Molar Refractivity
59.78
LOG S
-1.89
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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