Molecule
ID:53033
General Information
Molecular Formula
C₅H₁₁NO₃
Molecular Mass
133.14574
Exact Mass
133.07389322
Charge
0
InChI
InChI=1S/C5H11NO3/c1-5(4-7)2-3-6(8)9/h5,7H,2-4H2,1H3/t5-/m1/s1
InChIKey
CZUKMJNCZHVKEK-RXMQYKEDSA-N
Canonic Smiles
[O-][N+](=O)CC[C@H](CO)C
Isomeric Smiles
C(C[C@H](CO)C)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
8.689362
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.27144745
LogD (pH = 7.4)
0.25000137
Log P
0.27172786
Molar Refractivity
32.8615
Polarizability
12.556731
Polar Surface Area
66.05
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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