2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid

C21H20F3NO3 — CID 120540782

IUPAC2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid
SMILESCC(Cc1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)O
InChIInChI=1S/C21H20F3NO3/c1-13(18(26)27)11-14-5-7-17(8-6-14)25-19(28)20(9-10-20)15-3-2-4-16(12-15)21(22,23)24/h2-8,12-13H,9-11H2,1H3,(H,25,28)(H,26,27)
InChIKeyDXYOVJHCITVYRK-UHFFFAOYSA-N
MW391.39 g/mol
LogP4.64
Rot. Bonds6

About 2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid

2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid (PubChem CID 120540782) has the molecular formula C21H20F3NO3 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid
PubChem CID120540782
Molecular FormulaC21H20F3NO3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC Name2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid
SMILESCC(Cc1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)O
InChIInChI=1S/C21H20F3NO3/c1-13(18(26)27)11-14-5-7-17(8-6-14)25-19(28)20(9-10-20)15-3-2-4-16(12-15)21(22,23)24/h2-8,12-13H,9-11H2,1H3,(H,25,28)(H,26,27)
InChIKeyDXYOVJHCITVYRK-UHFFFAOYSA-N
XLogP4.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]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

1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2526231
(2S)-2-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]hexanoic acid
CID 120614850
(2S)-2-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]butanoic acid
CID 166239737
2-methyl-3-[4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]phenyl]propanoic acid
CID 120541500
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 4782994
N-(2-amino-2-phenylethyl)-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119529643
1-acetyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39888148
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 166186372
N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848940
1,2,2,3-tetramethyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 4729479
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 55484939
3-[4-[(1-ethylcyclopentanecarbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541391

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid (CID 120540782) is 2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid is CC(Cc1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid?
The InChIKey is DXYOVJHCITVYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO3/c1-13(18(26)27)11-14-5-7-17(8-6-14)25-19(28)20(9-10-20)15-3-2-4-16(12-15)21(22,23)24/h2-8,12-13H,9-11H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid?
2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid has a molecular weight of 391.39 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 120540782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).