1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

C13H18N2O3 — CID 55228223

IUPAC1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CC(C)C(C(=O)O)C2)n1C
InChIInChI=1S/C13H18N2O3/c1-8-6-15(7-10(8)13(17)18)12(16)11-5-4-9(2)14(11)3/h4-5,8,10H,6-7H2,1-3H3,(H,17,18)
InChIKeyCYLDBFGNEAKAQS-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.13
Rot. Bonds2

About 1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 55228223) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID55228223
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CC(C)C(C(=O)O)C2)n1C
InChIInChI=1S/C13H18N2O3/c1-8-6-15(7-10(8)13(17)18)12(16)11-5-4-9(2)14(11)3/h4-5,8,10H,6-7H2,1-3H3,(H,17,18)
InChIKeyCYLDBFGNEAKAQS-UHFFFAOYSA-N
XLogP1.13
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(1-methyl-5-nitropyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63721518
(1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416076
4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 114819005
1-(2-fluorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228026
1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 107013584
(1,5-dimethylpyrrol-2-yl)-piperazin-1-ylmethanone
CID 28788625
4-methyl-1-(2-methyl-5-methylsulfanylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63720294
(3S,4S)-4-methyl-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952873
4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63721715
[3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
CID 62063026
4-methyl-1-(2-methylsulfanylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63721880
(3S,4S)-1-(2,6-dimethylpyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 98537065

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (CID 55228223) is 1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is Cc1ccc(C(=O)N2CC(C)C(C(=O)O)C2)n1C.
What is the InChIKey of 1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is CYLDBFGNEAKAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-6-15(7-10(8)13(17)18)12(16)11-5-4-9(2)14(11)3/h4-5,8,10H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55228223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).