4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid

C10H14BrNO2 — CID 82514165

IUPAC4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid
SMILESCc1cc(Br)c(C)n1CCCC(=O)O
InChIInChI=1S/C10H14BrNO2/c1-7-6-9(11)8(2)12(7)5-3-4-10(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyLRLFXWBTRBASID-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.73
Rot. Bonds4

About 4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid

4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid (PubChem CID 82514165) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid
PubChem CID82514165
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid
SMILESCc1cc(Br)c(C)n1CCCC(=O)O
InChIInChI=1S/C10H14BrNO2/c1-7-6-9(11)8(2)12(7)5-3-4-10(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyLRLFXWBTRBASID-UHFFFAOYSA-N
XLogP2.73
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)butanoic acid
CID 84616792
4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid
CID 60875461
5-[2-(4-carboxybutyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]pentanoic acid
CID 102274603
2,5-dimethyl-1-octylpyrrole-3-carboxylic acid
CID 115566466
4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid
CID 82150018
4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)butanoic acid
CID 82494297
4-(2-methylpyrrol-1-yl)butanoic acid
CID 86172313
6-(3,4-dibromo-2,5-dihydroxypyrrol-1-yl)hexanoic acid
CID 123154690
5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid
CID 94758220
1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 16782672
5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54349223
4-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]butanoic acid
CID 119353000

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid?
The IUPAC name of 4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid (CID 82514165) is 4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid.
What is the SMILES notation for 4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid?
The canonical SMILES for 4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid is Cc1cc(Br)c(C)n1CCCC(=O)O.
What is the InChIKey of 4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid?
The InChIKey is LRLFXWBTRBASID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7-6-9(11)8(2)12(7)5-3-4-10(13)14/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid?
4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid has a molecular weight of 260.13 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid is sourced from PubChem (CID 82514165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).