Molecule

ID:69681

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₃
Molecular Mass
131.12986
Exact Mass
131.05824315
Charge
0
InChI
InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1
InChIKey
PMMYEEVYMWASQN-QWWZWVQMSA-N
Canonic Smiles
O[C@H]1CN[C@H](C1)C(=O)O
Isomeric Smiles
C(=O)([C@@H]1NC[C@@H](C1)O)O
Calculated Properties
JChem
Acid pKa
1.641382
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.7163465
LogD (pH = 7.4)
-3.7165344
Log P
-3.7163188
Molar Refractivity
29.3822
Polarizability
11.9828205
Polar Surface Area
69.56
Rotatable Bonds
1
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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