Molecule

ID:38588

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₄
Molecular Mass
257.32602
Exact Mass
257.16270822
Charge
0
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKey
QSUXZIPXYDQFCX-JTQLQIEISA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@@H](C1CCCCC1)C(=O)O
Isomeric Smiles
C1C(CCCC1)[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.1653833
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3193614
LogD (pH = 7.4)
-0.3858475
Log P
2.6708615
Molar Refractivity
66.3667
Polarizability
26.41152
Polar Surface Area
75.63
Rotatable Bonds
5
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