2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid

C8H11NO2 — CID 82490406

IUPAC2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid
SMILESCc1cc(CC(=O)O)c(C)[nH]1
InChIInChI=1S/C8H11NO2/c1-5-3-7(4-8(10)11)6(2)9-5/h3,9H,4H2,1-2H3,(H,10,11)
InChIKeyOBPBAPNPDOAKCR-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.26
Rot. Bonds2

About 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid

2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid (PubChem CID 82490406) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid
PubChem CID82490406
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid
SMILESCc1cc(CC(=O)O)c(C)[nH]1
InChIInChI=1S/C8H11NO2/c1-5-3-7(4-8(10)11)6(2)9-5/h3,9H,4H2,1-2H3,(H,10,11)
InChIKeyOBPBAPNPDOAKCR-UHFFFAOYSA-N
XLogP1.26
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid?
The IUPAC name of 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid (CID 82490406) is 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid.
What is the SMILES notation for 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid?
The canonical SMILES for 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid is Cc1cc(CC(=O)O)c(C)[nH]1.
What is the InChIKey of 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid?
The InChIKey is OBPBAPNPDOAKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-3-7(4-8(10)11)6(2)9-5/h3,9H,4H2,1-2H3,(H,10,11).
What are the key properties of 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid?
2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid has a molecular weight of 153.18 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1H-pyrrol-3-yl)acetic acid is sourced from PubChem (CID 82490406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).