3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid

C10H15NO2 — CID 91673050

IUPAC3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid
SMILESCCc1ccc(C)n1CCC(=O)O
InChIInChI=1S/C10H15NO2/c1-3-9-5-4-8(2)11(9)7-6-10(12)13/h4-5H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyRDQDDZLEUQQXGU-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.83
Rot. Bonds4

About 3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid

3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid (PubChem CID 91673050) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid
PubChem CID91673050
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid
SMILESCCc1ccc(C)n1CCC(=O)O
InChIInChI=1S/C10H15NO2/c1-3-9-5-4-8(2)11(9)7-6-10(12)13/h4-5H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyRDQDDZLEUQQXGU-UHFFFAOYSA-N
XLogP1.83
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid?
The IUPAC name of 3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid (CID 91673050) is 3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid?
The canonical SMILES for 3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid is CCc1ccc(C)n1CCC(=O)O.
What is the InChIKey of 3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid?
The InChIKey is RDQDDZLEUQQXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-9-5-4-8(2)11(9)7-6-10(12)13/h4-5H,3,6-7H2,1-2H3,(H,12,13).
What are the key properties of 3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid?
3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid has a molecular weight of 181.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid is sourced from PubChem (CID 91673050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).