2-methyl-3-pyrrol-1-ylpropanoic acid

C8H11NO2 — CID 62676988

IUPAC2-methyl-3-pyrrol-1-ylpropanoic acid
SMILESCC(Cn1cccc1)C(=O)O
InChIInChI=1S/C8H11NO2/c1-7(8(10)11)6-9-4-2-3-5-9/h2-5,7H,6H2,1H3,(H,10,11)
InChIKeyMLSACNPVCHARJL-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.21
Rot. Bonds3

About 2-methyl-3-pyrrol-1-ylpropanoic acid

2-methyl-3-pyrrol-1-ylpropanoic acid (PubChem CID 62676988) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-methyl-3-pyrrol-1-ylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-pyrrol-1-ylpropanoic acid
PubChem CID62676988
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-methyl-3-pyrrol-1-ylpropanoic acid
SMILESCC(Cn1cccc1)C(=O)O
InChIInChI=1S/C8H11NO2/c1-7(8(10)11)6-9-4-2-3-5-9/h2-5,7H,6H2,1H3,(H,10,11)
InChIKeyMLSACNPVCHARJL-UHFFFAOYSA-N
XLogP1.21
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrrol-1-ylpropanoic acid?
The IUPAC name of 2-methyl-3-pyrrol-1-ylpropanoic acid (CID 62676988) is 2-methyl-3-pyrrol-1-ylpropanoic acid.
What is the SMILES notation for 2-methyl-3-pyrrol-1-ylpropanoic acid?
The canonical SMILES for 2-methyl-3-pyrrol-1-ylpropanoic acid is CC(Cn1cccc1)C(=O)O.
What is the InChIKey of 2-methyl-3-pyrrol-1-ylpropanoic acid?
The InChIKey is MLSACNPVCHARJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-7(8(10)11)6-9-4-2-3-5-9/h2-5,7H,6H2,1H3,(H,10,11).
What are the key properties of 2-methyl-3-pyrrol-1-ylpropanoic acid?
2-methyl-3-pyrrol-1-ylpropanoic acid has a molecular weight of 153.18 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrrol-1-ylpropanoic acid is sourced from PubChem (CID 62676988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).