Molecule

ID:39320

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₄
Molecular Mass
229.27286
Exact Mass
229.13140809
Charge
0
InChI
InChI=1S/C11H19NO4/c1-5-6-8(7-9(13)14)12-10(15)16-11(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChIKey
RFHPQLCVYMBPRF-MRVPVSSYSA-N
Canonic Smiles
C=CC[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
Isomeric Smiles
C(=C)C[C@H](CC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.6029024
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7134038
LogD (pH = 7.4)
-1.0626875
Log P
1.6613127
Molar Refractivity
59.1637
Polarizability
23.21747
Polar Surface Area
75.63
Rotatable Bonds
7
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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