Molecule

ID:39476

General Information
Structure
Molecular Formula
C₁₁H₁₉NO₄
Molecular Mass
229.27286
Exact Mass
229.13140809
Charge
0
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKey
JQAOHGMPAAWWQO-QMMMGPOBSA-N
Canonic Smiles
OC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C
Isomeric Smiles
C1CN([C@@H](CC1)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.048332
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.16748306
LogD (pH = 7.4)
-1.5000744
Log P
1.6306204
Molar Refractivity
57.6604
Polarizability
22.755922
Polar Surface Area
66.84
Rotatable Bonds
3
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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