Molecule

ID:69337

General Information
Structure
Molecular Formula
C₁₀H₂₁NO₃
Molecular Mass
203.27864
Exact Mass
203.15214354
Charge
0
InChI
InChI=1S/C10H21NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h7-8,12H,6H2,1-5H3,(H,11,13)/t8-/m0/s1
InChIKey
OOQRRYDVICNJGC-QMMMGPOBSA-N
Canonic Smiles
OC[C@@H](C(C)C)NC(=O)OC(C)(C)C
Isomeric Smiles
C([C@H](NC(=O)OC(C)(C)C)C(C)C)O
Calculated Properties
JChem
Acid pKa
14.498428
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4806068
LogD (pH = 7.4)
1.4806067
Log P
1.4806068
Molar Refractivity
54.4985
Polarizability
21.69024
Polar Surface Area
58.56
Rotatable Bonds
5
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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