5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid

C17H16N2O5 — CID 126786075

IUPAC5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
SMILESCc1ccc(N2CCC(NC(=O)c3cc(C(=O)O)co3)C2=O)cc1
InChIInChI=1S/C17H16N2O5/c1-10-2-4-12(5-3-10)19-7-6-13(16(19)21)18-15(20)14-8-11(9-24-14)17(22)23/h2-5,8-9,13H,6-7H2,1H3,(H,18,20)(H,22,23)
InChIKeyGOOOXYYXSQLFDJ-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.82
Rot. Bonds4

About 5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid

5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid (PubChem CID 126786075) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
PubChem CID126786075
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
SMILESCc1ccc(N2CCC(NC(=O)c3cc(C(=O)O)co3)C2=O)cc1
InChIInChI=1S/C17H16N2O5/c1-10-2-4-12(5-3-10)19-7-6-13(16(19)21)18-15(20)14-8-11(9-24-14)17(22)23/h2-5,8-9,13H,6-7H2,1H3,(H,18,20)(H,22,23)
InChIKeyGOOOXYYXSQLFDJ-UHFFFAOYSA-N
XLogP1.82
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid
CID 104607694
3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 124588987
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]butanamide;hydrochloride
CID 119802744
5-methyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 126777850
2-amino-2-(4-methylphenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 120668837
N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide
CID 71839041
5-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]furan-2-carboxamide
CID 95234398
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide
CID 71838984
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide
CID 71839042

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid (CID 126786075) is 5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid is Cc1ccc(N2CCC(NC(=O)c3cc(C(=O)O)co3)C2=O)cc1.
What is the InChIKey of 5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is GOOOXYYXSQLFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-10-2-4-12(5-3-10)19-7-6-13(16(19)21)18-15(20)14-8-11(9-24-14)17(22)23/h2-5,8-9,13H,6-7H2,1H3,(H,18,20)(H,22,23).
What are the key properties of 5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid?
5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 328.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 126786075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).