1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid

C13H17FN2O2 — CID 112586688

IUPAC1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
SMILESCCC(c1ccc(F)cn1)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H17FN2O2/c1-2-12(11-4-3-10(14)7-15-11)16-6-5-9(8-16)13(17)18/h3-4,7,9,12H,2,5-6,8H2,1H3,(H,17,18)
InChIKeyOZQPNJTVBPPAAT-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.08
Rot. Bonds4

About 1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid

1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid (PubChem CID 112586688) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
PubChem CID112586688
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
SMILESCCC(c1ccc(F)cn1)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H17FN2O2/c1-2-12(11-4-3-10(14)7-15-11)16-6-5-9(8-16)13(17)18/h3-4,7,9,12H,2,5-6,8H2,1H3,(H,17,18)
InChIKeyOZQPNJTVBPPAAT-UHFFFAOYSA-N
XLogP2.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-methyl-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 4223664
4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 115941705
1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984629
1-[1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-yl]-N-methylmethanamine
CID 112585626
3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
CID 107321041
1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid
CID 4677151
1-[(4-fluorophenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 4010829
1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide
CID 115940603
(3S)-1-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124512163
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904479
1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid
CID 67624418
1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 113435785

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid (CID 112586688) is 1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid is CCC(c1ccc(F)cn1)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid?
The InChIKey is OZQPNJTVBPPAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-12(11-4-3-10(14)7-15-11)16-6-5-9(8-16)13(17)18/h3-4,7,9,12H,2,5-6,8H2,1H3,(H,17,18).
What are the key properties of 1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid?
1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 112586688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).