Molecule

ID:51799

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO₂
Molecular Mass
155.19432
Exact Mass
155.09462866
Charge
0
InChI
InChI=1S/C8H13NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h5-7,9H,1-4H2,(H,10,11)/t5-,6-,7-/m1/s1
InChIKey
OQHKEWIEKYQINX-FSDSQADBSA-N
Canonic Smiles
OC(=O)[C@@H]1N[C@H]2[C@@H](C1)CCC2
Isomeric Smiles
N1[C@@H](C(=O)O)C[C@@H]2[C@H]1CCC2
Calculated Properties
JChem
Acid pKa
2.0049324
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.728393
LogD (pH = 7.4)
-1.7283052
Log P
-1.7282915
Molar Refractivity
39.6765
Polarizability
16.067627
Polar Surface Area
49.33
Rotatable Bonds
1
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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