Molecule

ID:65921

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O₂
Molecular Mass
130.1451
Exact Mass
130.07422757
Charge
0
InChI
InChI=1S/C5H10N2O2/c6-5(9)4-3(8)1-2-7-4/h3-4,7-8H,1-2H2,(H2,6,9)/t3-,4-/m0/s1
InChIKey
HTJXCQYXFPTUOW-IMJSIDKUSA-N
Canonic Smiles
O[C@H]1CCN[C@@H]1C(=O)N
Isomeric Smiles
N1[C@@H]([C@H](CC1)O)C(=O)N
Calculated Properties
JChem
Acid pKa
14.327154
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-5.137289
LogD (pH = 7.4)
-3.7521584
Log P
-2.0517817
Molar Refractivity
31.2044
Polarizability
12.626756
Polar Surface Area
75.35
Rotatable Bonds
1
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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