2-(1H-pyrrol-2-yl)pentanoic acid

C9H13NO2 — CID 57297406

IUPAC2-(1H-pyrrol-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C9H13NO2/c1-2-4-7(9(11)12)8-5-3-6-10-8/h3,5-7,10H,2,4H2,1H3,(H,11,12)
InChIKeyLHVWYBUGZUSFFJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.98
Rot. Bonds4

About 2-(1H-pyrrol-2-yl)pentanoic acid

2-(1H-pyrrol-2-yl)pentanoic acid (PubChem CID 57297406) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)pentanoic acid
PubChem CID57297406
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-(1H-pyrrol-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C9H13NO2/c1-2-4-7(9(11)12)8-5-3-6-10-8/h3,5-7,10H,2,4H2,1H3,(H,11,12)
InChIKeyLHVWYBUGZUSFFJ-UHFFFAOYSA-N
XLogP1.98
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)pentanoic acid?
The IUPAC name of 2-(1H-pyrrol-2-yl)pentanoic acid (CID 57297406) is 2-(1H-pyrrol-2-yl)pentanoic acid.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)pentanoic acid?
The canonical SMILES for 2-(1H-pyrrol-2-yl)pentanoic acid is CCCC(C(=O)O)c1ccc[nH]1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)pentanoic acid?
The InChIKey is LHVWYBUGZUSFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-4-7(9(11)12)8-5-3-6-10-8/h3,5-7,10H,2,4H2,1H3,(H,11,12).
What are the key properties of 2-(1H-pyrrol-2-yl)pentanoic acid?
2-(1H-pyrrol-2-yl)pentanoic acid has a molecular weight of 167.21 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)pentanoic acid is sourced from PubChem (CID 57297406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).