1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

C15H15NO4 — CID 102775843

IUPAC1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2coc3ccccc23)C1C(=O)O
InChIInChI=1S/C15H15NO4/c1-9-6-7-16(13(9)15(18)19)14(17)11-8-20-12-5-3-2-4-10(11)12/h2-5,8-9,13H,6-7H2,1H3,(H,18,19)
InChIKeyJMJPPYQCBZKJRP-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.37
Rot. Bonds2

About 1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102775843) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102775843
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2coc3ccccc23)C1C(=O)O
InChIInChI=1S/C15H15NO4/c1-9-6-7-16(13(9)15(18)19)14(17)11-8-20-12-5-3-2-4-10(11)12/h2-5,8-9,13H,6-7H2,1H3,(H,18,19)
InChIKeyJMJPPYQCBZKJRP-UHFFFAOYSA-N
XLogP2.37
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-3-methylpiperidin-1-yl]-(1-benzofuran-3-yl)methanone;hydrochloride
CID 119597356
1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705753
3-methyl-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103117258
1-(2-chlorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069786
1-benzofuran-3-yl-(3-bromopyrrolidin-1-yl)methanone
CID 80677908
1-(2,4-dichlorobenzoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775267
3-methyl-1-(2-prop-2-enoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 102775190
1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775873
3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775875
3-methyl-1-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 102775649
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzofuran-3-yl)methanone
CID 120808215
1-benzofuran-3-yl-[(2R)-2,5,5-trimethylmorpholin-4-yl]methanone
CID 97108997

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102775843) is 1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(=O)c2coc3ccccc23)C1C(=O)O.
What is the InChIKey of 1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is JMJPPYQCBZKJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-6-7-16(13(9)15(18)19)14(17)11-8-20-12-5-3-2-4-10(11)12/h2-5,8-9,13H,6-7H2,1H3,(H,18,19).
What are the key properties of 1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102775843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).