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

C8H11NO2 — CID 11275122

IUPAC2-(1H-pyrrol-2-yl)butanoic acid
SMILESCCC(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C8H11NO2/c1-2-6(8(10)11)7-4-3-5-9-7/h3-6,9H,2H2,1H3,(H,10,11)
InChIKeyQQPQEHDEXUPVCQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.59
Rot. Bonds3

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

2-(1H-pyrrol-2-yl)butanoic acid (PubChem CID 11275122) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)butanoic acid.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)butanoic acid
PubChem CID11275122
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(1H-pyrrol-2-yl)butanoic acid
SMILESCCC(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C8H11NO2/c1-2-6(8(10)11)7-4-3-5-9-7/h3-6,9H,2H2,1H3,(H,10,11)
InChIKeyQQPQEHDEXUPVCQ-UHFFFAOYSA-N
XLogP1.59
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.59
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)butanoic acid?
The IUPAC name of 2-(1H-pyrrol-2-yl)butanoic acid (CID 11275122) is 2-(1H-pyrrol-2-yl)butanoic acid.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)butanoic acid?
The canonical SMILES for 2-(1H-pyrrol-2-yl)butanoic acid is CCC(C(=O)O)c1ccc[nH]1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)butanoic acid?
The InChIKey is QQPQEHDEXUPVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-6(8(10)11)7-4-3-5-9-7/h3-6,9H,2H2,1H3,(H,10,11).
What are the key properties of 2-(1H-pyrrol-2-yl)butanoic acid?
2-(1H-pyrrol-2-yl)butanoic acid has a molecular weight of 153.18 g/mol, XLogP of 1.59, 3 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)butanoic acid is sourced from PubChem (CID 11275122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).