Molecule

ID:132806

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O₃
Molecular Mass
146.1445
Exact Mass
146.06914219
Charge
0
InChI
InChI=1S/C5H10N2O3/c1-2-3(4(8)9)7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)
InChIKey
YZKPZSDKMUSSHE-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)O)NC(=O)N
Isomeric Smiles
CCC(C(=O)O)NC(=O)N
Calculated Properties
JChem
Acid pKa
3.9101264
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-2.1668243
LogD (pH = 7.4)
-3.779218
Log P
-0.57088786
Molar Refractivity
33.1418
Polarizability
12.964616
Polar Surface Area
92.42
Rotatable Bonds
3
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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