2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid

C8H12F3NO4S — CID 55011179

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H12F3NO4S/c1-5(7(13)14)17(15,16)12(6-2-3-6)4-8(9,10)11/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyHOVFSSWWKWHPTK-UHFFFAOYSA-N
MW275.25 g/mol
LogP0.82
Rot. Bonds5

About 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid

2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (PubChem CID 55011179) has the molecular formula C8H12F3NO4S and a molecular weight of 275.25 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
PubChem CID55011179
Molecular FormulaC8H12F3NO4S
Molecular Weight275.25 g/mol
Exact Mass275.04
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H12F3NO4S/c1-5(7(13)14)17(15,16)12(6-2-3-6)4-8(9,10)11/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyHOVFSSWWKWHPTK-UHFFFAOYSA-N
XLogP0.82
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid
CID 61457985
2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid
CID 79717086
2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860989
2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid
CID 61458209
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
CID 119785687
2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid
CID 61454198
N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 56789010
2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid
CID 66213666
(2S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 55009565
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 90554867
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 119785686
3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61384835

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid (CID 55011179) is 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
The InChIKey is HOVFSSWWKWHPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO4S/c1-5(7(13)14)17(15,16)12(6-2-3-6)4-8(9,10)11/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid?
2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid has a molecular weight of 275.25 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 55011179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).