Molecule

ID:136388

General Information
Structure
Molecular Formula
C₆H₁₀N₂O₃
Molecular Mass
158.1552
Exact Mass
158.06914219
Charge
0
InChI
InChI=1S/C6H10N2O3/c7-6(11)8-3-1-2-4(8)5(9)10/h4H,1-3H2,(H2,7,11)(H,9,10)
InChIKey
RTNFBJXLYMERBB-UHFFFAOYSA-N
Canonic Smiles
NC(=O)N1CCCC1C(=O)O
Isomeric Smiles
C1CC(N(C1)C(=O)N)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8005645
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.5223954
LogD (pH = 7.4)
-4.082868
Log P
-0.8207447
Molar Refractivity
36.3069
Polarizability
14.077792
Polar Surface Area
83.63
Rotatable Bonds
1
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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