2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid

C7H10F3NO6S — CID 79258228

IUPAC2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOC(=O)CS(=O)(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C7H10F3NO6S/c1-17-6(14)3-18(15,16)11(2-5(12)13)4-7(8,9)10/h2-4H2,1H3,(H,12,13)
InChIKeyVOXHIABVFINNBK-UHFFFAOYSA-N
MW293.22 g/mol
LogP-0.56
Rot. Bonds6

About 2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258228) has the molecular formula C7H10F3NO6S and a molecular weight of 293.22 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258228
Molecular FormulaC7H10F3NO6S
Molecular Weight293.22 g/mol
Exact Mass293.02
IUPAC Name2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOC(=O)CS(=O)(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C7H10F3NO6S/c1-17-6(14)3-18(15,16)11(2-5(12)13)4-7(8,9)10/h2-4H2,1H3,(H,12,13)
InChIKeyVOXHIABVFINNBK-UHFFFAOYSA-N
XLogP-0.56
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 58901138
2-[Ethyl(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfonyl)amino]acetic acid
CID 58963604
2-[Methyl-(3,4,4,4-tetrafluoro-3-methylbutyl)sulfonylamino]acetic acid
CID 87159158
Methyl 2-[bis(2-fluoroethyl)sulfamoyl]acetate
CID 163617657
2-[Difluoromethylsulfonyl(methyl)amino]acetic acid
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Methyl 2-[difluoromethylsulfonyl(methyl)amino]acetate
CID 43624247

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258228) is 2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid is COC(=O)CS(=O)(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is VOXHIABVFINNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO6S/c1-17-6(14)3-18(15,16)11(2-5(12)13)4-7(8,9)10/h2-4H2,1H3,(H,12,13).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 293.22 g/mol, XLogP of -0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).