Molecule

ID:69091

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₃
Molecular Mass
201.26276
Exact Mass
201.13649347
Charge
0
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h8,12H,4-7H2,1-3H3/t8-/m0/s1
InChIKey
UIJXHKXIOCDSEB-QMMMGPOBSA-N
Canonic Smiles
O[C@H]1CCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C[C@H](CCC1)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.863168
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.86577713
LogD (pH = 7.4)
0.8657771
Log P
0.86577713
Molar Refractivity
53.192
Polarizability
20.97339
Polar Surface Area
49.77
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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