1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid

C12H12FNO3 — CID 117021760

IUPAC1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CC(=O)N1c1ccccc1F
InChIInChI=1S/C12H12FNO3/c1-7-8(12(16)17)6-11(15)14(7)10-5-3-2-4-9(10)13/h2-5,7-8H,6H2,1H3,(H,16,17)
InChIKeyQUCGLZHVOAYCFL-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.65
Rot. Bonds2

About 1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid

1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 117021760) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID117021760
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CC(=O)N1c1ccccc1F
InChIInChI=1S/C12H12FNO3/c1-7-8(12(16)17)6-11(15)14(7)10-5-3-2-4-9(10)13/h2-5,7-8H,6H2,1H3,(H,16,17)
InChIKeyQUCGLZHVOAYCFL-UHFFFAOYSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 124510271
1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
CID 117021898
1-(2,5-dimethylphenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 117021749
2-(2-fluorophenyl)-4-oxocyclohexane-1-carboxylic acid
CID 77185254
1-(2-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302568
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504673
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
(2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 16731773
1-(2-fluorophenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51175375
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110414262
5-(2-fluorophenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;oxalic acid
CID 155345777
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid (CID 117021760) is 1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CC(=O)N1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is QUCGLZHVOAYCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-7-8(12(16)17)6-11(15)14(7)10-5-3-2-4-9(10)13/h2-5,7-8H,6H2,1H3,(H,16,17).
What are the key properties of 1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid?
1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 237.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117021760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).