Molecule

ID:131211

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₃O₄
Molecular Mass
245.27556
Exact Mass
245.1375561
Charge
0
InChI
InChI=1S/C10H19N3O4/c1-3-5(2)8(12)9(15)13-6(10(16)17)4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)
InChIKey
HZYHBDVRCBDJJV-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C(=O)NC(C(=O)O)CC(=O)N)N)C
Isomeric Smiles
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)O)N
Calculated Properties
JChem
Acid pKa
3.7106256
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-3.4994435
LogD (pH = 7.4)
-3.5241935
Log P
-3.4963586
Molar Refractivity
59.2489
Polarizability
23.725344
Polar Surface Area
135.51
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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