2-[methyl(trifluoromethylsulfonyl)amino]acetic acid

C4H6F3NO4S — CID 43361148

IUPAC2-[methyl(trifluoromethylsulfonyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO4S/c1-8(2-3(9)10)13(11,12)4(5,6)7/h2H2,1H3,(H,9,10)
InChIKeyYHAYRKGGBCCPEW-UHFFFAOYSA-N
MW221.16 g/mol
LogP-0.15
Rot. Bonds3

About 2-[methyl(trifluoromethylsulfonyl)amino]acetic acid

2-[methyl(trifluoromethylsulfonyl)amino]acetic acid (PubChem CID 43361148) has the molecular formula C4H6F3NO4S and a molecular weight of 221.16 g/mol. Its IUPAC name is 2-[methyl(trifluoromethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(trifluoromethylsulfonyl)amino]acetic acid
PubChem CID43361148
Molecular FormulaC4H6F3NO4S
Molecular Weight221.16 g/mol
Exact Mass221.00
IUPAC Name2-[methyl(trifluoromethylsulfonyl)amino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO4S/c1-8(2-3(9)10)13(11,12)4(5,6)7/h2H2,1H3,(H,9,10)
InChIKeyYHAYRKGGBCCPEW-UHFFFAOYSA-N
XLogP-0.15
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(trifluoromethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[methyl(trifluoromethylsulfonyl)amino]acetic acid (CID 43361148) is 2-[methyl(trifluoromethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(trifluoromethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(trifluoromethylsulfonyl)amino]acetic acid is CN(CC(=O)O)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[methyl(trifluoromethylsulfonyl)amino]acetic acid?
The InChIKey is YHAYRKGGBCCPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO4S/c1-8(2-3(9)10)13(11,12)4(5,6)7/h2H2,1H3,(H,9,10).
What are the key properties of 2-[methyl(trifluoromethylsulfonyl)amino]acetic acid?
2-[methyl(trifluoromethylsulfonyl)amino]acetic acid has a molecular weight of 221.16 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(trifluoromethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 43361148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).