2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid

C17H18ClNO4 — CID 67244274

IUPAC2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(O)c(Cl)cc2n1C(=O)C1CCCC1
InChIInChI=1S/C17H18ClNO4/c1-9-11(7-16(21)22)12-6-15(20)13(18)8-14(12)19(9)17(23)10-4-2-3-5-10/h6,8,10,20H,2-5,7H2,1H3,(H,21,22)
InChIKeyPTEMBZXFTNKUIC-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.77
Rot. Bonds3

About 2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid

2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid (PubChem CID 67244274) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid
PubChem CID67244274
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(O)c(Cl)cc2n1C(=O)C1CCCC1
InChIInChI=1S/C17H18ClNO4/c1-9-11(7-16(21)22)12-6-15(20)13(18)8-14(12)19(9)17(23)10-4-2-3-5-10/h6,8,10,20H,2-5,7H2,1H3,(H,21,22)
InChIKeyPTEMBZXFTNKUIC-UHFFFAOYSA-N
XLogP3.77
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid (CID 67244274) is 2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid is Cc1c(CC(=O)O)c2cc(O)c(Cl)cc2n1C(=O)C1CCCC1.
What is the InChIKey of 2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid?
The InChIKey is PTEMBZXFTNKUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-9-11(7-16(21)22)12-6-15(20)13(18)8-14(12)19(9)17(23)10-4-2-3-5-10/h6,8,10,20H,2-5,7H2,1H3,(H,21,22).
What are the key properties of 2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid?
2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid has a molecular weight of 335.79 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-(cyclopentanecarbonyl)-5-hydroxy-2-methylindol-3-yl]acetic acid is sourced from PubChem (CID 67244274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).