1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid

C14H16FNO3 — CID 102775873

IUPAC1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCc1cc(F)ccc1C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C14H16FNO3/c1-8-5-6-16(12(8)14(18)19)13(17)11-4-3-10(15)7-9(11)2/h3-4,7-8,12H,5-6H2,1-2H3,(H,18,19)
InChIKeyDQEHXOCPIHLHJH-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.07
Rot. Bonds2

About 1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid

1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102775873) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102775873
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCc1cc(F)ccc1C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C14H16FNO3/c1-8-5-6-16(12(8)14(18)19)13(17)11-4-3-10(15)7-9(11)2/h3-4,7-8,12H,5-6H2,1-2H3,(H,18,19)
InChIKeyDQEHXOCPIHLHJH-UHFFFAOYSA-N
XLogP2.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluoro-2-hydroxybenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069257
1-(2,4-dichlorobenzoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775267
1-(3-amino-4-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780395
3-methyl-1-(3,4,5-trifluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 102775425
1-(2,3-dihydro-1H-indene-5-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775363
1-(4-fluoro-2-methylbenzoyl)pyrrolidine-2-carbonitrile
CID 113399970
(2,4-dimethyl-1,4-diazepan-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 114086778
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 103820381
3-methyl-1-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 102775649
1-(2,4-dibromobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107938402
1-(2-chloro-4,5-difluorobenzoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069594
1-[(2-cyano-4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782955

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102775873) is 1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid is Cc1cc(F)ccc1C(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is DQEHXOCPIHLHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-8-5-6-16(12(8)14(18)19)13(17)11-4-3-10(15)7-9(11)2/h3-4,7-8,12H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102775873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).