3-(1H-pyrrol-2-yl)butanoic acid

C8H11NO2 — CID 57209736

IUPAC3-(1H-pyrrol-2-yl)butanoic acid
SMILESCC(CC(=O)O)c1ccc[nH]1
InChIInChI=1S/C8H11NO2/c1-6(5-8(10)11)7-3-2-4-9-7/h2-4,6,9H,5H2,1H3,(H,10,11)
InChIKeyWDWPZZIPTOXMFT-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.59
Rot. Bonds3

About 3-(1H-pyrrol-2-yl)butanoic acid

3-(1H-pyrrol-2-yl)butanoic acid (PubChem CID 57209736) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-(1H-pyrrol-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(1H-pyrrol-2-yl)butanoic acid
PubChem CID57209736
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-(1H-pyrrol-2-yl)butanoic acid
SMILESCC(CC(=O)O)c1ccc[nH]1
InChIInChI=1S/C8H11NO2/c1-6(5-8(10)11)7-3-2-4-9-7/h2-4,6,9H,5H2,1H3,(H,10,11)
InChIKeyWDWPZZIPTOXMFT-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Porphobilinogen
CID 1021
5-Phenylpyrrole-2-propionic acid
CID 96467
3-(3-Methylpyridin-2-yl)propanoic acid
CID 28924889
5-(1H-indol-3-yl)pentanoic acid
CID 12357127
3-(5-Ethyl-2-pyridinyl)propanoic acid
CID 411803
ethyl 2-(1H-pyrrol-2-yl)acetate
CID 220944
4-(3-Pyrrolyl)butyric acid
CID 255668
2-(1H-pyrrol-2-yl)acetic acid
CID 4220146
2-(6-Methylpyridin-3-yl)acetic acid
CID 22507698
3-(1H-pyrrol-2-yl)propanoic Acid
CID 11286501
8-Azabicyclo(3.2.1)octane-3-carboxylic acid, 8-methyl-2-(1H-pyrrol-2-yl)-, methyl ester, (exo,exo)-
CID 3052002
3-(1-methyl-1H-pyrrol-2-yl)propanoic acid
CID 12416647

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-2-yl)butanoic acid?
The IUPAC name of 3-(1H-pyrrol-2-yl)butanoic acid (CID 57209736) is 3-(1H-pyrrol-2-yl)butanoic acid.
What is the SMILES notation for 3-(1H-pyrrol-2-yl)butanoic acid?
The canonical SMILES for 3-(1H-pyrrol-2-yl)butanoic acid is CC(CC(=O)O)c1ccc[nH]1.
What is the InChIKey of 3-(1H-pyrrol-2-yl)butanoic acid?
The InChIKey is WDWPZZIPTOXMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6(5-8(10)11)7-3-2-4-9-7/h2-4,6,9H,5H2,1H3,(H,10,11).
What are the key properties of 3-(1H-pyrrol-2-yl)butanoic acid?
3-(1H-pyrrol-2-yl)butanoic acid has a molecular weight of 153.18 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-2-yl)butanoic acid is sourced from PubChem (CID 57209736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).