2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid

C17H18FNO4 — CID 67244825

IUPAC2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2c(F)c(O)ccc2n1C(=O)C1CCCC1
InChIInChI=1S/C17H18FNO4/c1-9-11(8-14(21)22)15-12(6-7-13(20)16(15)18)19(9)17(23)10-4-2-3-5-10/h6-7,10,20H,2-5,8H2,1H3,(H,21,22)
InChIKeyPQHHCJKIDLLSFU-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.25
Rot. Bonds3

About 2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid

2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid (PubChem CID 67244825) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid
PubChem CID67244825
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2c(F)c(O)ccc2n1C(=O)C1CCCC1
InChIInChI=1S/C17H18FNO4/c1-9-11(8-14(21)22)15-12(6-7-13(20)16(15)18)19(9)17(23)10-4-2-3-5-10/h6-7,10,20H,2-5,8H2,1H3,(H,21,22)
InChIKeyPQHHCJKIDLLSFU-UHFFFAOYSA-N
XLogP3.25
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid (CID 67244825) is 2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid is Cc1c(CC(=O)O)c2c(F)c(O)ccc2n1C(=O)C1CCCC1.
What is the InChIKey of 2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid?
The InChIKey is PQHHCJKIDLLSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-9-11(8-14(21)22)15-12(6-7-13(20)16(15)18)19(9)17(23)10-4-2-3-5-10/h6-7,10,20H,2-5,8H2,1H3,(H,21,22).
What are the key properties of 2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid?
2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid has a molecular weight of 319.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentanecarbonyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid is sourced from PubChem (CID 67244825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).