5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid

C17H15FN2O5 — CID 124687628

IUPAC5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid
SMILESCN(C(=O)c1ccc(C(=O)O)o1)[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C17H15FN2O5/c1-19(16(22)13-6-7-14(25-13)17(23)24)12-8-9-20(15(12)21)11-5-3-2-4-10(11)18/h2-7,12H,8-9H2,1H3,(H,23,24)/t12-/m1/s1
InChIKeyWLCCDUWTOAGHMQ-GFCCVEGCSA-N
MW346.31 g/mol
LogP1.99
Rot. Bonds4

About 5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid

5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid (PubChem CID 124687628) has the molecular formula C17H15FN2O5 and a molecular weight of 346.31 g/mol. Its IUPAC name is 5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid
PubChem CID124687628
Molecular FormulaC17H15FN2O5
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid
SMILESCN(C(=O)c1ccc(C(=O)O)o1)[C@@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C17H15FN2O5/c1-19(16(22)13-6-7-14(25-13)17(23)24)12-8-9-20(15(12)21)11-5-3-2-4-10(11)18/h2-7,12H,8-9H2,1H3,(H,23,24)/t12-/m1/s1
InChIKeyWLCCDUWTOAGHMQ-GFCCVEGCSA-N
XLogP1.99
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide
CID 96527113
4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
CID 119129476
2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
CID 99807453
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
5-(aminomethyl)-N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-2-carboxamide
CID 124684296
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide
CID 97352449
5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide
CID 75371035
(3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide
CID 124684318
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951523
(2R,3S)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide
CID 120932657
2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 129414917
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
CID 120610765

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid (CID 124687628) is 5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid is CN(C(=O)c1ccc(C(=O)O)o1)[C@@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid?
The InChIKey is WLCCDUWTOAGHMQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15FN2O5/c1-19(16(22)13-6-7-14(25-13)17(23)24)12-8-9-20(15(12)21)11-5-3-2-4-10(11)18/h2-7,12H,8-9H2,1H3,(H,23,24)/t12-/m1/s1.
What are the key properties of 5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid?
5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid has a molecular weight of 346.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 124687628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).