2-(1-methylpyrrol-3-yl)acetic acid

C7H9NO2 — CID 26722643

IUPAC2-(1-methylpyrrol-3-yl)acetic acid
SMILESCn1ccc(CC(=O)O)c1
InChIInChI=1S/C7H9NO2/c1-8-3-2-6(5-8)4-7(9)10/h2-3,5H,4H2,1H3,(H,9,10)
InChIKeyRDYCFHGCGWNFNU-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.65
Rot. Bonds2

About 2-(1-methylpyrrol-3-yl)acetic acid

2-(1-methylpyrrol-3-yl)acetic acid (PubChem CID 26722643) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-(1-methylpyrrol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methylpyrrol-3-yl)acetic acid
PubChem CID26722643
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-(1-methylpyrrol-3-yl)acetic acid
SMILESCn1ccc(CC(=O)O)c1
InChIInChI=1S/C7H9NO2/c1-8-3-2-6(5-8)4-7(9)10/h2-3,5H,4H2,1H3,(H,9,10)
InChIKeyRDYCFHGCGWNFNU-UHFFFAOYSA-N
XLogP0.65
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
CID 82283489
N-butyl-2-(1-methylpyrrol-3-yl)acetamide
CID 110768899
1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-one
CID 82472618
1-(4-benzylpiperazin-1-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768949
3-amino-4-(1-methylpyrrol-3-yl)butan-2-one
CID 82414178
2,2-dimethyl-1-[4-[2-(1-methylpyrrol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110801545
2-[(1-methylpyrrol-3-yl)methylamino]-2-phenylacetic acid
CID 66398999
(2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide
CID 29028446
(1-methylpyrrol-3-yl)methanethiol
CID 130306136
4-(1-methylpyrrol-3-yl)-4-oxobutanoic acid
CID 82280838
1-[4-[2-(1-methylpyrrol-3-yl)acetyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110815895
1-[(1-methylpyrrol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 82286606

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-3-yl)acetic acid?
The IUPAC name of 2-(1-methylpyrrol-3-yl)acetic acid (CID 26722643) is 2-(1-methylpyrrol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-methylpyrrol-3-yl)acetic acid?
The canonical SMILES for 2-(1-methylpyrrol-3-yl)acetic acid is Cn1ccc(CC(=O)O)c1.
What is the InChIKey of 2-(1-methylpyrrol-3-yl)acetic acid?
The InChIKey is RDYCFHGCGWNFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-8-3-2-6(5-8)4-7(9)10/h2-3,5H,4H2,1H3,(H,9,10).
What are the key properties of 2-(1-methylpyrrol-3-yl)acetic acid?
2-(1-methylpyrrol-3-yl)acetic acid has a molecular weight of 139.15 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-3-yl)acetic acid is sourced from PubChem (CID 26722643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).