1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid

C12H12FNO4 — CID 67775079

IUPAC1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCOc1ccc(N2C(=O)CCC2C(=O)O)cc1F
InChIInChI=1S/C12H12FNO4/c1-18-10-4-2-7(6-8(10)13)14-9(12(16)17)3-5-11(14)15/h2,4,6,9H,3,5H2,1H3,(H,16,17)
InChIKeyHOFLQUJEFGPCSU-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.41
Rot. Bonds3

About 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid

1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 67775079) has the molecular formula C12H12FNO4 and a molecular weight of 253.23 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID67775079
Molecular FormulaC12H12FNO4
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESCOc1ccc(N2C(=O)CCC2C(=O)O)cc1F
InChIInChI=1S/C12H12FNO4/c1-18-10-4-2-7(6-8(10)13)14-9(12(16)17)3-5-11(14)15/h2,4,6,9H,3,5H2,1H3,(H,16,17)
InChIKeyHOFLQUJEFGPCSU-UHFFFAOYSA-N
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxylic acid
CID 67774880
(2S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 42260725
1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid
CID 171100779
1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696566
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617
methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 42261094
(2S)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137100
CID 11494152
CID 11494152
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110373885
4-(3-fluoro-4-methoxyphenyl)morpholine-3,5-dione
CID 58393490
(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79035338
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874011

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid (CID 67775079) is 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid is COc1ccc(N2C(=O)CCC2C(=O)O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is HOFLQUJEFGPCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO4/c1-18-10-4-2-7(6-8(10)13)14-9(12(16)17)3-5-11(14)15/h2,4,6,9H,3,5H2,1H3,(H,16,17).
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid?
1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 253.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67775079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).