3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid

C14H15NO2 — CID 82363949

IUPAC3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid
SMILESCc1cc(-c2ccccc2)n(CCC(=O)O)c1
InChIInChI=1S/C14H15NO2/c1-11-9-13(12-5-3-2-4-6-12)15(10-11)8-7-14(16)17/h2-6,9-10H,7-8H2,1H3,(H,16,17)
InChIKeyBLAJBFFLCCZLQF-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.94
Rot. Bonds4

About 3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid

3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid (PubChem CID 82363949) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid
PubChem CID82363949
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid
SMILESCc1cc(-c2ccccc2)n(CCC(=O)O)c1
InChIInChI=1S/C14H15NO2/c1-11-9-13(12-5-3-2-4-6-12)15(10-11)8-7-14(16)17/h2-6,9-10H,7-8H2,1H3,(H,16,17)
InChIKeyBLAJBFFLCCZLQF-UHFFFAOYSA-N
XLogP2.94
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-fluorophenyl)-4-methylpyrrol-1-yl]butanoic acid
CID 82363976
3-[2-(3-hydroxyphenyl)-4-methylimidazol-1-yl]propanoic acid
CID 83971153
1-pentyl-6-phenyl-4-sulfanylidenepyridine-3-carboxylic acid
CID 87523799
3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061511
3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid
CID 70783823
pentanedioic acid;toluene
CID 159822689
3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid
CID 82300508
3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 9122815
1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099726
3-(5-bromo-3-methylindol-1-yl)propanoic acid
CID 82502249
3-[3-(2-methylphenyl)-2-oxoimidazol-1-yl]propanoic acid
CID 112707966
3-[3-(3-methylphenyl)-6-oxopyridazin-1-yl]propanoic acid
CID 56770644

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid?
The IUPAC name of 3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid (CID 82363949) is 3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid?
The canonical SMILES for 3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid is Cc1cc(-c2ccccc2)n(CCC(=O)O)c1.
What is the InChIKey of 3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid?
The InChIKey is BLAJBFFLCCZLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-11-9-13(12-5-3-2-4-6-12)15(10-11)8-7-14(16)17/h2-6,9-10H,7-8H2,1H3,(H,16,17).
What are the key properties of 3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid?
3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-phenylpyrrol-1-yl)propanoic acid is sourced from PubChem (CID 82363949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).