Molecule

ID:60208

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO₃
Molecular Mass
133.14574
Exact Mass
133.07389322
Charge
0
InChI
InChI=1S/C5H11NO3/c1-6(2-3-7)4-5(8)9/h7H,2-4H2,1H3,(H,8,9)
InChIKey
XNYWPPQQCQRHHM-UHFFFAOYSA-N
Canonic Smiles
OCCN(CC(=O)O)C
Isomeric Smiles
C(=O)(CN(CCO)C)O
Calculated Properties
JChem
Acid pKa
1.6525674
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.7506907
LogD (pH = 7.4)
-3.7542946
Log P
-3.750757
Molar Refractivity
32.365
Polarizability
12.682326
Polar Surface Area
60.77
Rotatable Bonds
4
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
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References
Bioactivity
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