Molecule

ID:38573

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O₄
Molecular Mass
232.2768
Exact Mass
232.14230713
Charge
0
InChI
InChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)11-7(8(13)14)6-12(4)5/h7H,6H2,1-5H3,(H,11,15)(H,13,14)
InChIKey
VCDQZVYJKDSORW-UHFFFAOYSA-N
Canonic Smiles
CN(CC(C(=O)O)NC(=O)OC(C)(C)C)C
Isomeric Smiles
C(=O)(C(CN(C)C)NC(=O)OC(C)(C)C)O
Calculated Properties
JChem
Acid pKa
3.1258228
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.1517777
LogD (pH = 7.4)
-2.1831787
Log P
-2.1516914
Molar Refractivity
58.6408
Polarizability
23.16858
Polar Surface Area
78.87
Rotatable Bonds
6
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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