2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid

C12H17NO2 — CID 82470434

IUPAC2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid
SMILESCn1ccc(C(C(=O)O)C2CCCC2)c1
InChIInChI=1S/C12H17NO2/c1-13-7-6-10(8-13)11(12(14)15)9-4-2-3-5-9/h6-9,11H,2-5H2,1H3,(H,14,15)
InChIKeyIHNDDLFCRALWHY-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.38
Rot. Bonds3

About 2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid

2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid (PubChem CID 82470434) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid
PubChem CID82470434
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid
SMILESCn1ccc(C(C(=O)O)C2CCCC2)c1
InChIInChI=1S/C12H17NO2/c1-13-7-6-10(8-13)11(12(14)15)9-4-2-3-5-9/h6-9,11H,2-5H2,1H3,(H,14,15)
InChIKeyIHNDDLFCRALWHY-UHFFFAOYSA-N
XLogP2.38
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid?
The IUPAC name of 2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid (CID 82470434) is 2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid?
The canonical SMILES for 2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid is Cn1ccc(C(C(=O)O)C2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid?
The InChIKey is IHNDDLFCRALWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-7-6-10(8-13)11(12(14)15)9-4-2-3-5-9/h6-9,11H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid?
2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid has a molecular weight of 207.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(1-methylpyrrol-3-yl)acetic acid is sourced from PubChem (CID 82470434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).