3-(4-methyl-1H-pyrrol-3-yl)propanoic acid

C8H11NO2 — CID 15160751

IUPAC3-(4-methyl-1H-pyrrol-3-yl)propanoic acid
SMILESCc1c[nH]cc1CCC(=O)O
InChIInChI=1S/C8H11NO2/c1-6-4-9-5-7(6)2-3-8(10)11/h4-5,9H,2-3H2,1H3,(H,10,11)
InChIKeyFYMPIGRRSUORAR-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.34
Rot. Bonds3

About 3-(4-methyl-1H-pyrrol-3-yl)propanoic acid

3-(4-methyl-1H-pyrrol-3-yl)propanoic acid (PubChem CID 15160751) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-(4-methyl-1H-pyrrol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methyl-1H-pyrrol-3-yl)propanoic acid
PubChem CID15160751
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-(4-methyl-1H-pyrrol-3-yl)propanoic acid
SMILESCc1c[nH]cc1CCC(=O)O
InChIInChI=1S/C8H11NO2/c1-6-4-9-5-7(6)2-3-8(10)11/h4-5,9H,2-3H2,1H3,(H,10,11)
InChIKeyFYMPIGRRSUORAR-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1H-pyrrol-3-yl)propanoic acid?
The IUPAC name of 3-(4-methyl-1H-pyrrol-3-yl)propanoic acid (CID 15160751) is 3-(4-methyl-1H-pyrrol-3-yl)propanoic acid.
What is the SMILES notation for 3-(4-methyl-1H-pyrrol-3-yl)propanoic acid?
The canonical SMILES for 3-(4-methyl-1H-pyrrol-3-yl)propanoic acid is Cc1c[nH]cc1CCC(=O)O.
What is the InChIKey of 3-(4-methyl-1H-pyrrol-3-yl)propanoic acid?
The InChIKey is FYMPIGRRSUORAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-4-9-5-7(6)2-3-8(10)11/h4-5,9H,2-3H2,1H3,(H,10,11).
What are the key properties of 3-(4-methyl-1H-pyrrol-3-yl)propanoic acid?
3-(4-methyl-1H-pyrrol-3-yl)propanoic acid has a molecular weight of 153.18 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1H-pyrrol-3-yl)propanoic acid is sourced from PubChem (CID 15160751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).