2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid

C17H22FNO3 — CID 122109861

IUPAC2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid
SMILESCC(CC1CCCC1)C(=O)Nc1ccc(CC(=O)O)c(F)c1
InChIInChI=1S/C17H22FNO3/c1-11(8-12-4-2-3-5-12)17(22)19-14-7-6-13(9-16(20)21)15(18)10-14/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,22)(H,20,21)
InChIKeyQEFRUQNWBIJNCW-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.61
Rot. Bonds6

About 2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid

2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid (PubChem CID 122109861) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid
PubChem CID122109861
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Name2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid
SMILESCC(CC1CCCC1)C(=O)Nc1ccc(CC(=O)O)c(F)c1
InChIInChI=1S/C17H22FNO3/c1-11(8-12-4-2-3-5-12)17(22)19-14-7-6-13(9-16(20)21)15(18)10-14/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,22)(H,20,21)
InChIKeyQEFRUQNWBIJNCW-UHFFFAOYSA-N
XLogP3.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]phenyl]acetic acid
CID 122109856
(2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 124505456
2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid
CID 122110010
2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109666
2-[4-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutanoyl]amino]-2-fluorophenyl]acetic acid
CID 122109770
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
2-[4-(butanoylamino)-2-fluorophenyl]acetic acid
CID 122110137
(2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid
CID 154742047
2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid
CID 122110170
2-[2-fluoro-4-[(2-methylsulfanylacetyl)amino]phenyl]acetic acid
CID 122110095
2-[2-fluoro-4-[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]phenyl]acetic acid
CID 122109658
2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109613

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid (CID 122109861) is 2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid is CC(CC1CCCC1)C(=O)Nc1ccc(CC(=O)O)c(F)c1.
What is the InChIKey of 2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid?
The InChIKey is QEFRUQNWBIJNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-11(8-12-4-2-3-5-12)17(22)19-14-7-6-13(9-16(20)21)15(18)10-14/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid?
2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid has a molecular weight of 307.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid is sourced from PubChem (CID 122109861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).