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

C16H23FN2O2 — CID 106984629

IUPAC1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCC(c1ccc(F)cn1)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C16H23FN2O2/c1-4-14(13-6-5-12(17)9-18-13)19-8-7-16(10-19,11(2)3)15(20)21/h5-6,9,11,14H,4,7-8,10H2,1-3H3,(H,20,21)
InChIKeyXAFJXPMVZJENON-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.10
Rot. Bonds5

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

1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106984629) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106984629
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCC(c1ccc(F)cn1)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C16H23FN2O2/c1-4-14(13-6-5-12(17)9-18-13)19-8-7-16(10-19,11(2)3)15(20)21/h5-6,9,11,14H,4,7-8,10H2,1-3H3,(H,20,21)
InChIKeyXAFJXPMVZJENON-UHFFFAOYSA-N
XLogP3.10
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
CID 107321041
1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propylpyrrolidine-3-carboxylic acid
CID 115941701
4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 115941705
1-[1-(3-fluorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984631
1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 83129243
1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
CID 112586688
1-(1-phenylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984643
2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659957
1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-3-amine
CID 112585618
1-[1-[1-(5-fluoro-2-pyridinyl)propyl]piperidin-4-yl]-N-methylmethanamine
CID 112585626
1-[(4-fluorophenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982823
1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide
CID 115940603

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106984629) is 1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is CCC(c1ccc(F)cn1)N1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is XAFJXPMVZJENON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-4-14(13-6-5-12(17)9-18-13)19-8-7-16(10-19,11(2)3)15(20)21/h5-6,9,11,14H,4,7-8,10H2,1-3H3,(H,20,21).
What are the key properties of 1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 294.37 g/mol, XLogP of 3.10, 5 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]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106984629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).