2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid

C7H13F3N2O4S — CID 114805835

IUPAC2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid
SMILESCC(CN(C)S(=O)(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H13F3N2O4S/c1-5(6(13)14)3-12(2)17(15,16)11-4-7(8,9)10/h5,11H,3-4H2,1-2H3,(H,13,14)
InChIKeyCBCHMRRETCALHH-UHFFFAOYSA-N
MW278.25 g/mol
LogP0.04
Rot. Bonds6

About 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid

2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid (PubChem CID 114805835) has the molecular formula C7H13F3N2O4S and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid
PubChem CID114805835
Molecular FormulaC7H13F3N2O4S
Molecular Weight278.25 g/mol
Exact Mass278.05
IUPAC Name2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid
SMILESCC(CN(C)S(=O)(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H13F3N2O4S/c1-5(6(13)14)3-12(2)17(15,16)11-4-7(8,9)10/h5,11H,3-4H2,1-2H3,(H,13,14)
InChIKeyCBCHMRRETCALHH-UHFFFAOYSA-N
XLogP0.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-3-[methyl(trifluoromethylsulfonyl)amino]propanoic acid
CID 61598991
3-[Methyl-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65684170
Methyl 3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoate
CID 65684304
3-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid
CID 65684305
3-[Methyl(3,3,3-trifluoropropylsulfamoyl)amino]propanoic acid
CID 65685000
3-[[Ethyl(2,2,2-trifluoroethyl)sulfamoyl]-methylamino]propanoic acid
CID 65686339
3-[Methyl-[methyl(3,3,3-trifluoropropyl)sulfamoyl]amino]propanoic acid
CID 65686575
3-[Methyl-[methyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propanoic acid
CID 65686888
3-[Methyl(2,2,2-trifluoroethoxysulfamoyl)amino]propanoic acid
CID 82707427
3-[(2,2-Difluoro-3-hydroxypropyl)sulfamoyl-methylamino]propanoic acid
CID 106168664
3-[Tert-butyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid
CID 113636711
3-[Methyl(4,4,4-trifluorobutan-2-ylsulfamoyl)amino]propanoic acid
CID 114129756

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid (CID 114805835) is 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid is CC(CN(C)S(=O)(=O)NCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid?
The InChIKey is CBCHMRRETCALHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O4S/c1-5(6(13)14)3-12(2)17(15,16)11-4-7(8,9)10/h5,11H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid?
2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid has a molecular weight of 278.25 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanoic acid is sourced from PubChem (CID 114805835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).