3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid

C24H27NO3 — CID 68828892

IUPAC3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(OC2CCCC2)c(-c2ccc3c(ccn3C)c2)c1)C(=O)O
InChIInChI=1S/C24H27NO3/c1-16(24(26)27)13-17-7-10-23(28-20-5-3-4-6-20)21(14-17)18-8-9-22-19(15-18)11-12-25(22)2/h7-12,14-16,20H,3-6,13H2,1-2H3,(H,26,27)
InChIKeyNZFYQQZXPFYZBI-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.43
Rot. Bonds6

About 3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid

3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid (PubChem CID 68828892) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid
PubChem CID68828892
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(OC2CCCC2)c(-c2ccc3c(ccn3C)c2)c1)C(=O)O
InChIInChI=1S/C24H27NO3/c1-16(24(26)27)13-17-7-10-23(28-20-5-3-4-6-20)21(14-17)18-8-9-22-19(15-18)11-12-25(22)2/h7-12,14-16,20H,3-6,13H2,1-2H3,(H,26,27)
InChIKeyNZFYQQZXPFYZBI-UHFFFAOYSA-N
XLogP5.43
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-cyclobutyloxyphenyl)-2-methylpropanoic acid
CID 117425393
3-[4-cycloheptyloxy-3-(1-methylindazol-5-yl)phenyl]propanoic acid
CID 22559270
3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)-5-nitrophenyl]propanoic acid
CID 68828274
3-[4-(cyclohexylmethoxy)-3-(6-hydroxynaphthalen-2-yl)phenyl]-2-methylpropanoic acid
CID 68825492
3-[4-(cyclohexylmethoxy)-3-(1H-indol-6-yl)phenyl]-2-methylpropanoic acid
CID 68826528
3-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-isoquinolin-6-ylphenyl]-2-methylpropanoic acid
CID 68829756
3-[4-(cyclopentylmethoxy)-3-[6-(methylamino)naphthalen-2-yl]phenyl]-2-methylpropanoic acid
CID 68826339
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404
3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid
CID 115115521
5-(2-cyclohexyloxy-3-fluorophenyl)-1-methylindole
CID 141077971
3-[3-(1H-indol-5-yl)-4-(2-phenylsulfanylethoxy)phenyl]-2-methylpropanoic acid
CID 68825360
4-methoxy-3-(1-methylindol-5-yl)benzoic acid
CID 82039901

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid (CID 68828892) is 3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid is CC(Cc1ccc(OC2CCCC2)c(-c2ccc3c(ccn3C)c2)c1)C(=O)O.
What is the InChIKey of 3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid?
The InChIKey is NZFYQQZXPFYZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-16(24(26)27)13-17-7-10-23(28-20-5-3-4-6-20)21(14-17)18-8-9-22-19(15-18)11-12-25(22)2/h7-12,14-16,20H,3-6,13H2,1-2H3,(H,26,27).
What are the key properties of 3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid?
3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid has a molecular weight of 377.48 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 68828892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).