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

C15H17NO4 — CID 79364197

IUPAC1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C15H17NO4/c1-9-11(15(18)19)6-7-16(9)14(17)13-8-10-4-2-3-5-12(10)20-13/h2-5,9,11,13H,6-8H2,1H3,(H,18,19)
InChIKeyKCZLEAFTKAPFDU-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.31
Rot. Bonds2

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

1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79364197) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79364197
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C15H17NO4/c1-9-11(15(18)19)6-7-16(9)14(17)13-8-10-4-2-3-5-12(10)20-13/h2-5,9,11,13H,6-8H2,1H3,(H,18,19)
InChIKeyKCZLEAFTKAPFDU-UHFFFAOYSA-N
XLogP1.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107069164
2,3-dihydro-1-benzofuran-2-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705558
1-(2,3-dihydro-1-benzothiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364209
2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 36671807
2,3-dihydro-1-benzofuran-2-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 51229050
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123309
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 94819696
3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032698
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
CID 95570301
2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978348

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79364197) is 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)C1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is KCZLEAFTKAPFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9-11(15(18)19)6-7-16(9)14(17)13-8-10-4-2-3-5-12(10)20-13/h2-5,9,11,13H,6-8H2,1H3,(H,18,19).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79364197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).