1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid

C14H22N2O2 — CID 16785578

IUPAC1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
SMILESCCN1CCCC1Cn1c(C)cc(C(=O)O)c1C
InChIInChI=1S/C14H22N2O2/c1-4-15-7-5-6-12(15)9-16-10(2)8-13(11(16)3)14(17)18/h8,12H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyFTAIRYAMFPDZDI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.29
Rot. Bonds4

About 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid

1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid (PubChem CID 16785578) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
PubChem CID16785578
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
SMILESCCN1CCCC1Cn1c(C)cc(C(=O)O)c1C
InChIInChI=1S/C14H22N2O2/c1-4-15-7-5-6-12(15)9-16-10(2)8-13(11(16)3)14(17)18/h8,12H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyFTAIRYAMFPDZDI-UHFFFAOYSA-N
XLogP2.29
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-1-(thiolan-3-ylmethyl)pyrrole-3-carboxylic acid
CID 107295139
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344675
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344674
2,5-dimethyl-1-octylpyrrole-3-carboxylic acid
CID 115566466
1-[(1-ethylpiperidin-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170511596
2,5-dimethyl-1-[2-(oxan-2-yl)ethyl]pyrrole-3-carboxylic acid
CID 114135752
ethyl 1-(cyclohexylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 90379201
2-cyclopentyloxy-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 43799424
2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one
CID 45237079
4-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-difluorobenzoic acid
CID 79837693
2,5-dimethyl-1-(3-methylbut-2-enyl)pyrrole-3-carboxylic acid
CID 106179765
1-[2-(diethylamino)ethyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 16782594

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid (CID 16785578) is 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid is CCN1CCCC1Cn1c(C)cc(C(=O)O)c1C.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid?
The InChIKey is FTAIRYAMFPDZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-15-7-5-6-12(15)9-16-10(2)8-13(11(16)3)14(17)18/h8,12H,4-7,9H2,1-3H3,(H,17,18).
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid?
1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid is sourced from PubChem (CID 16785578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).