5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid

C7H10F3NO6S — CID 82787311

IUPAC5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid
SMILESCOC(=O)CCC(NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F3NO6S/c1-17-5(12)3-2-4(6(13)14)11-18(15,16)7(8,9)10/h4,11H,2-3H2,1H3,(H,13,14)
InChIKeyDRWSQUDKJLVAGZ-UHFFFAOYSA-N
MW293.22 g/mol
LogP-0.17
Rot. Bonds6

About 5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid

5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid (PubChem CID 82787311) has the molecular formula C7H10F3NO6S and a molecular weight of 293.22 g/mol. Its IUPAC name is 5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid
PubChem CID82787311
Molecular FormulaC7H10F3NO6S
Molecular Weight293.22 g/mol
Exact Mass293.02
IUPAC Name5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid
SMILESCOC(=O)CCC(NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F3NO6S/c1-17-5(12)3-2-4(6(13)14)11-18(15,16)7(8,9)10/h4,11H,2-3H2,1H3,(H,13,14)
InChIKeyDRWSQUDKJLVAGZ-UHFFFAOYSA-N
XLogP-0.17
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid?
The IUPAC name of 5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid (CID 82787311) is 5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid.
What is the SMILES notation for 5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid?
The canonical SMILES for 5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid is COC(=O)CCC(NS(=O)(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of 5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid?
The InChIKey is DRWSQUDKJLVAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO6S/c1-17-5(12)3-2-4(6(13)14)11-18(15,16)7(8,9)10/h4,11H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid?
5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid has a molecular weight of 293.22 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid is sourced from PubChem (CID 82787311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).