1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid

C13H14FNO3 — CID 16796004

IUPAC1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H14FNO3/c14-10-5-3-9(4-6-10)8-12(16)15-7-1-2-11(15)13(17)18/h3-6,11H,1-2,7-8H2,(H,17,18)
InChIKeySTCSBQNAXQZHLV-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.44
Rot. Bonds3

About 1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid

1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 16796004) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID16796004
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H14FNO3/c14-10-5-3-9(4-6-10)8-12(16)15-7-1-2-11(15)13(17)18/h3-6,11H,1-2,7-8H2,(H,17,18)
InChIKeySTCSBQNAXQZHLV-UHFFFAOYSA-N
XLogP1.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 78920281
(2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372064
(2R)-1-[2-[4-(dimethylamino)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 57426175
(2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 96667389
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 43170890
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43239484
1-[2-(4-hydroxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64558978
1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid
CID 114421350
1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110871905
(2S)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137100
1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid
CID 119176055

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid (CID 16796004) is 1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is STCSBQNAXQZHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-10-5-3-9(4-6-10)8-12(16)15-7-1-2-11(15)13(17)18/h3-6,11H,1-2,7-8H2,(H,17,18).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid?
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 16796004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).