Molecule

ID:131243

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O₃
Molecular Mass
158.1552
Exact Mass
158.06914219
Charge
0
InChI
InChI=1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H2,7,10)
InChIKey
IHLAQQPQKRMGSS-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CN1CC(CC1=O)O
Isomeric Smiles
C1C(CN(C1=O)CC(=O)N)O
Calculated Properties
JChem
Acid pKa
14.608332
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.6038888
LogD (pH = 7.4)
-2.6038888
Log P
-2.6038888
Molar Refractivity
36.2689
Polarizability
14.242021
Polar Surface Area
83.63
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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