3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid

C14H16FNO4 — CID 119258547

IUPAC3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
SMILESCOCc1ccccc1C(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C14H16FNO4/c1-20-8-10-4-2-3-5-11(10)12(17)16-7-6-14(15,9-16)13(18)19/h2-5H,6-9H2,1H3,(H,18,19)
InChIKeyZACXLRLWSJUOTD-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.47
Rot. Bonds4

About 3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid

3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119258547) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
PubChem CID119258547
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
SMILESCOCc1ccccc1C(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C14H16FNO4/c1-20-8-10-4-2-3-5-11(10)12(17)16-7-6-14(15,9-16)13(18)19/h2-5H,6-9H2,1H3,(H,18,19)
InChIKeyZACXLRLWSJUOTD-UHFFFAOYSA-N
XLogP1.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopropylmethoxy)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258766
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 128982533
1-(3-bromo-2-fluorobenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 167793126
[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 78861722
1-(2,4-dimethoxybenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259319
1-(1-benzofuran-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259234
3-fluoro-1-(isoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529797
1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258529
3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258324
4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid
CID 119251922
1-(2-ethylbenzoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982531
3-fluoro-1-(2-morpholin-4-ylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119258727

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid (CID 119258547) is 3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid is COCc1ccccc1C(=O)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZACXLRLWSJUOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-20-8-10-4-2-3-5-11(10)12(17)16-7-6-14(15,9-16)13(18)19/h2-5H,6-9H2,1H3,(H,18,19).
What are the key properties of 3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid?
3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[2-(methoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).