2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H16F3NO4S — CID 79266346

IUPAC2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCS(=O)(=O)C1CCCC1N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H16F3NO4S/c1-19(17,18)8-4-2-3-7(8)14(5-9(15)16)6-10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyIYUYKCVXGBWBJF-UHFFFAOYSA-N
MW303.30 g/mol
LogP0.90
Rot. Bonds5

About 2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266346) has the molecular formula C10H16F3NO4S and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266346
Molecular FormulaC10H16F3NO4S
Molecular Weight303.30 g/mol
Exact Mass303.08
IUPAC Name2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCS(=O)(=O)C1CCCC1N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H16F3NO4S/c1-19(17,18)8-4-2-3-7(8)14(5-9(15)16)6-10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyIYUYKCVXGBWBJF-UHFFFAOYSA-N
XLogP0.90
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic 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-[(1,1-Dioxothiolan-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 60839388
2-[2,2-Difluoroethyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 60922552
2-[(1,1-Dioxothiolan-3-yl)-(3,3,3-trifluoropropyl)amino]acetic acid
CID 64566734
2-[3-Methylsulfonylpropyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257794
2-[3-Ethylsulfonylpropyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258280
2-[(1,1-Dioxothian-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266188
2-[(3-Methylsulfonylcyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 80063160
2-[Cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
CID 83067877
2-[(1,1-Dioxothiolan-3-yl)-(4,4,4-trifluorobutyl)amino]acetic acid
CID 113326566
2-[(1,1-Dioxothiolan-3-yl)-(6,6,6-trifluorohexan-2-yl)amino]acetic acid
CID 116536176
2-[Cyclopentyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetic acid
CID 116616753
2-[Cyclopentyl(2-methylsulfonylethylsulfonyl)amino]acetic acid
CID 55175824

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266346) is 2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CS(=O)(=O)C1CCCC1N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is IYUYKCVXGBWBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4S/c1-19(17,18)8-4-2-3-7(8)14(5-9(15)16)6-10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 303.30 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfonylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).