Molecule

ID:50810

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-14(2,3)11(12(16)17)15-13(18)19-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKey
NSVNKQLSGGKNKB-LLVKDONJSA-N
Canonic Smiles
O=C(N[C@@H](C(C)(C)C)C(=O)O)OCc1ccccc1
Isomeric Smiles
C(=O)(N[C@H](C(=O)O)C(C)(C)C)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
3.9570458
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.298633
LogD (pH = 7.4)
-0.33379126
Log P
2.8493955
Molar Refractivity
69.571
Polarizability
27.495182
Polar Surface Area
75.63
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation