1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid

C13H16FNO2 — CID 65066425

IUPAC1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC(c1ccccc1F)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H16FNO2/c1-9(11-4-2-3-5-12(11)14)15-7-6-10(8-15)13(16)17/h2-5,9-10H,6-8H2,1H3,(H,16,17)
InChIKeyQGBYAHVRAJXYBH-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.29
Rot. Bonds3

About 1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid

1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 65066425) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID65066425
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC(c1ccccc1F)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H16FNO2/c1-9(11-4-2-3-5-12(11)14)15-7-6-10(8-15)13(16)17/h2-5,9-10H,6-8H2,1H3,(H,16,17)
InChIKeyQGBYAHVRAJXYBH-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-fluorophenyl)ethyl]azetidine-3-carboxylic acid
CID 65072000
(3S)-1-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124512163
1-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 82974099
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904479
1-[1-[2-(difluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 65066569
4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid
CID 65067273
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
2-[1-[1-(2-fluorophenyl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 60503854
N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916645
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
1-[3-(2-fluorophenyl)butanoyl]piperidine-4-carboxylic acid
CID 119166742

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid (CID 65066425) is 1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid is CC(c1ccccc1F)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QGBYAHVRAJXYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9(11-4-2-3-5-12(11)14)15-7-6-10(8-15)13(16)17/h2-5,9-10H,6-8H2,1H3,(H,16,17).
What are the key properties of 1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65066425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).