2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid

C14H16FNO4 — CID 63379341

IUPAC2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCN1C(=O)CC(C(=O)O)C1c1ccc(F)cc1
InChIInChI=1S/C14H16FNO4/c1-20-7-6-16-12(17)8-11(14(18)19)13(16)9-2-4-10(15)5-3-9/h2-5,11,13H,6-8H2,1H3,(H,18,19)
InChIKeyOCOIQQYVRPXRTC-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.45
Rot. Bonds5

About 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid

2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 63379341) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID63379341
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOCCN1C(=O)CC(C(=O)O)C1c1ccc(F)cc1
InChIInChI=1S/C14H16FNO4/c1-20-7-6-16-12(17)8-11(14(18)19)13(16)9-2-4-10(15)5-3-9/h2-5,11,13H,6-8H2,1H3,(H,18,19)
InChIKeyOCOIQQYVRPXRTC-UHFFFAOYSA-N
XLogP1.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 56827365
(2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 95292042
(2R,3R)-1-(2-methoxyethyl)-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7144611
(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 51982857
2-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 114866524
2-(1,3-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83095058
(2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 110087249
2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 171143923
1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 66117272
(2S,3R)-2-(4-cyanophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid
CID 95300167
2-(2-cyanophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 107936802
1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
CID 114557630

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid (CID 63379341) is 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid is COCCN1C(=O)CC(C(=O)O)C1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is OCOIQQYVRPXRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-20-7-6-16-12(17)8-11(14(18)19)13(16)9-2-4-10(15)5-3-9/h2-5,11,13H,6-8H2,1H3,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid?
2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63379341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).