Molecule

ID:3423

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₃
Molecular Mass
131.12986
Exact Mass
131.05824315
Charge
0
InChI
InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1
InChIKey
KABXUUFDPUOJMW-BYPYZUCNSA-N
Canonic Smiles
O=CCC[C@@H](C(=O)O)N
Isomeric Smiles
N[C@@H](CCC=O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.36
LogD (pH = 5.5)
-3.35
Log P
-3.35
Rotatable Bonds
4
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
2.12
Polar Surface Area
80.39
Polarizability
12.42
Molar Refractivity
30.36
LOG S
0.60
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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