Molecule

ID:64431

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO₃
Molecular Mass
149.1882
Exact Mass
149.10519335
Charge
0
InChI
InChI=1S/C6H15NO3/c1-7(2)6(3-8,4-9)5-10/h8-10H,3-5H2,1-2H3
InChIKey
FGLZHYIVVZTBQJ-UHFFFAOYSA-N
Canonic Smiles
OCC(N(C)C)(CO)CO
Isomeric Smiles
C(N(C)C)(CO)(CO)CO
Calculated Properties
JChem
Acid pKa
14.151239
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-4.7815127
LogD (pH = 7.4)
-3.0323062
Log P
-1.8966008
Molar Refractivity
38.4248
Polarizability
15.211721
Polar Surface Area
63.93
Rotatable Bonds
4
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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