Molecule

ID:34505

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₃
Molecular Mass
147.17232
Exact Mass
147.08954328
Charge
0
InChI
InChI=1S/C6H13NO3/c1-7(3-4-10-2)5-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKey
FSGZMFWQBDILDQ-UHFFFAOYSA-N
Canonic Smiles
COCCN(CC(=O)O)C
Isomeric Smiles
C(=O)(CN(CCOC)C)O
Calculated Properties
JChem
Acid pKa
1.7691215
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.1063032
LogD (pH = 7.4)
-3.1107976
Log P
-3.106384
Molar Refractivity
37.1162
Polarizability
14.570952
Polar Surface Area
49.77
Rotatable Bonds
5
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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