3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid

C20H19F2NO3 — CID 120700737

IUPAC3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCC(CNC(=O)C1CC1c1c(F)cccc1F)(C(=O)O)c1ccccc1
InChIInChI=1S/C20H19F2NO3/c1-20(19(25)26,12-6-3-2-4-7-12)11-23-18(24)14-10-13(14)17-15(21)8-5-9-16(17)22/h2-9,13-14H,10-11H2,1H3,(H,23,24)(H,25,26)
InChIKeyTYIRSOQPMWIMPQ-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.23
Rot. Bonds6

About 3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid

3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120700737) has the molecular formula C20H19F2NO3 and a molecular weight of 359.37 g/mol. Its IUPAC name is 3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120700737
Molecular FormulaC20H19F2NO3
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCC(CNC(=O)C1CC1c1c(F)cccc1F)(C(=O)O)c1ccccc1
InChIInChI=1S/C20H19F2NO3/c1-20(19(25)26,12-6-3-2-4-7-12)11-23-18(24)14-10-13(14)17-15(21)8-5-9-16(17)22/h2-9,13-14H,10-11H2,1H3,(H,23,24)(H,25,26)
InChIKeyTYIRSOQPMWIMPQ-UHFFFAOYSA-N
XLogP3.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119641296
2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
CID 111441782
3-[[(1S,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704672
3-(cyclobutanecarbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120700700
2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119431264
2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 120701287
3-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120701285
2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253082
methyl (2S)-2-methyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-2-phenylpropanoate
CID 100676193
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 93299333
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid (CID 120700737) is 3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid is CC(CNC(=O)C1CC1c1c(F)cccc1F)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is TYIRSOQPMWIMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO3/c1-20(19(25)26,12-6-3-2-4-7-12)11-23-18(24)14-10-13(14)17-15(21)8-5-9-16(17)22/h2-9,13-14H,10-11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid?
3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 359.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120700737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).