2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid

C6H11F3N2O5S — CID 106108298

IUPAC2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
SMILESCOC(CNS(=O)(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H11F3N2O5S/c1-16-4(5(12)13)2-10-17(14,15)11-3-6(7,8)9/h4,10-11H,2-3H2,1H3,(H,12,13)
InChIKeyXDBRGYNABSZHQI-UHFFFAOYSA-N
MW280.22 g/mol
LogP-0.93
Rot. Bonds7

About 2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid

2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid (PubChem CID 106108298) has the molecular formula C6H11F3N2O5S and a molecular weight of 280.22 g/mol. Its IUPAC name is 2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
PubChem CID106108298
Molecular FormulaC6H11F3N2O5S
Molecular Weight280.22 g/mol
Exact Mass280.03
IUPAC Name2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
SMILESCOC(CNS(=O)(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H11F3N2O5S/c1-16-4(5(12)13)2-10-17(14,15)11-3-6(7,8)9/h4,10-11H,2-3H2,1H3,(H,12,13)
InChIKeyXDBRGYNABSZHQI-UHFFFAOYSA-N
XLogP-0.93
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid (CID 106108298) is 2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid is COC(CNS(=O)(=O)NCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
The InChIKey is XDBRGYNABSZHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O5S/c1-16-4(5(12)13)2-10-17(14,15)11-3-6(7,8)9/h4,10-11H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid?
2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid has a molecular weight of 280.22 g/mol, XLogP of -0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid is sourced from PubChem (CID 106108298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).