2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid

C22H23F3N2O3 — CID 70902048

IUPAC2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
SMILESCCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccn1)C(=O)C1CCC1
InChIInChI=1S/C22H23F3N2O3/c1-2-27(21(30)15-4-3-5-15)13-16-12-17(22(23,24)25)6-7-18(16)19-10-14(8-9-26-19)11-20(28)29/h6-10,12,15H,2-5,11,13H2,1H3,(H,28,29)
InChIKeyLIIPSNFMEKJKEA-UHFFFAOYSA-N
MW420.43 g/mol
LogP4.54
Rot. Bonds7

About 2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid

2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid (PubChem CID 70902048) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
PubChem CID70902048
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
SMILESCCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccn1)C(=O)C1CCC1
InChIInChI=1S/C22H23F3N2O3/c1-2-27(21(30)15-4-3-5-15)13-16-12-17(22(23,24)25)6-7-18(16)19-10-14(8-9-26-19)11-20(28)29/h6-10,12,15H,2-5,11,13H2,1H3,(H,28,29)
InChIKeyLIIPSNFMEKJKEA-UHFFFAOYSA-N
XLogP4.54
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]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

sodium 2-[(2S,4R)-1-[(1R)-4-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]pentyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 46216678
2-((2S,4R)-1-((R)-4-Methyl-1-(6-(trifluoromethyl)pyridin-3-yl)pentyl)-2-(4-(trifluoromethyl)phenyl)piperidin-4-yl)acetic acid
CID 46216679
2-[4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]acetic acid
CID 136166866
2-Phenyl-4-pyridin-2-ylbutanoic acid
CID 238363
sodium 2-[(2S,4R)-1-[(1R)-2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 46231469
sodium 2-[(2S,4R)-2-[4-(trifluoromethyl)phenyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]pentyl]piperidin-4-yl]acetate
CID 46231522
sodium 2-[(2S,4R)-1-[(1R)-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]butyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 46231524
sodium 2-[(2S,4R)-1-[(1R)-2-cyclobutyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 46231526
sodium 2-[(2S,4R)-2-[4-(trifluoromethyl)phenyl]-1-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]heptyl]piperidin-4-yl]acetate
CID 46231577
sodium 2-[(2S,4R)-1-[(1R)-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 46231688
sodium 2-[(2S,4R)-1-[(1R)-1-(6-cyclopropyl-3-pyridinyl)-4-methylpentyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetate
CID 46231753
2-[4-[(4-Methylpiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 71461771

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid (CID 70902048) is 2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid is CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccn1)C(=O)C1CCC1.
What is the InChIKey of 2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
The InChIKey is LIIPSNFMEKJKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c1-2-27(21(30)15-4-3-5-15)13-16-12-17(22(23,24)25)6-7-18(16)19-10-14(8-9-26-19)11-20(28)29/h6-10,12,15H,2-5,11,13H2,1H3,(H,28,29).
What are the key properties of 2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid?
2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid has a molecular weight of 420.43 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid is sourced from PubChem (CID 70902048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).