2-(1,5-dimethylpyrrol-2-yl)acetic acid

C8H11NO2 — CID 23460407

IUPAC2-(1,5-dimethylpyrrol-2-yl)acetic acid
SMILESCc1ccc(CC(=O)O)n1C
InChIInChI=1S/C8H11NO2/c1-6-3-4-7(9(6)2)5-8(10)11/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyOUOFQJFIDSXSDF-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.96
Rot. Bonds2

About 2-(1,5-dimethylpyrrol-2-yl)acetic acid

2-(1,5-dimethylpyrrol-2-yl)acetic acid (PubChem CID 23460407) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,5-dimethylpyrrol-2-yl)acetic acid
PubChem CID23460407
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(1,5-dimethylpyrrol-2-yl)acetic acid
SMILESCc1ccc(CC(=O)O)n1C
InChIInChI=1S/C8H11NO2/c1-6-3-4-7(9(6)2)5-8(10)11/h3-4H,5H2,1-2H3,(H,10,11)
InChIKeyOUOFQJFIDSXSDF-UHFFFAOYSA-N
XLogP0.96
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid
CID 83484624
3-(2-ethyl-5-methylpyrrol-1-yl)propanoic acid
CID 91673050
methyl N-[(1,5-dimethylpyrrol-2-yl)methyl]carbamate
CID 131155774
2-[5-(4-bromobenzoyl)-1-methylpyrrol-2-yl]acetic acid
CID 18424149
2-[1-methyl-5-(thiophene-2-carbonyl)pyrrol-2-yl]acetic acid
CID 18424377
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 4786534
2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 28790887
2-(1-methyl-6-methylsulfanylindol-2-yl)acetic acid
CID 83919001
2-[1-methyl-5-[4-(2-phenylethyl)benzoyl]pyrrol-2-yl]acetic acid
CID 67677357
2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid
CID 82525356
2-(2,6-dichlorophenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
CID 31217635
2-[5-[4-(4-methoxyphenyl)benzoyl]-1-methylpyrrol-2-yl]acetic acid
CID 54131688

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrrol-2-yl)acetic acid?
The IUPAC name of 2-(1,5-dimethylpyrrol-2-yl)acetic acid (CID 23460407) is 2-(1,5-dimethylpyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-(1,5-dimethylpyrrol-2-yl)acetic acid?
The canonical SMILES for 2-(1,5-dimethylpyrrol-2-yl)acetic acid is Cc1ccc(CC(=O)O)n1C.
What is the InChIKey of 2-(1,5-dimethylpyrrol-2-yl)acetic acid?
The InChIKey is OUOFQJFIDSXSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-3-4-7(9(6)2)5-8(10)11/h3-4H,5H2,1-2H3,(H,10,11).
What are the key properties of 2-(1,5-dimethylpyrrol-2-yl)acetic acid?
2-(1,5-dimethylpyrrol-2-yl)acetic acid has a molecular weight of 153.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrrol-2-yl)acetic acid is sourced from PubChem (CID 23460407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).