Molecule

ID:131367

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)12-6-4-5-7(11)8(13)14/h7H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)/t7-/m0/s1
InChIKey
GLZZMUULAVZVTA-ZETCQYMHSA-N
Canonic Smiles
N[C@H](C(=O)O)CCCNC(=O)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)NCCC[C@@H](C(=O)O)N
Calculated Properties
JChem
Acid pKa
1.7184958
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.9255742
LogD (pH = 7.4)
-1.9315349
Log P
-1.9256502
Molar Refractivity
58.0815
Polarizability
23.16858
Polar Surface Area
101.65
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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