3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid

C19H21FN2O2 — CID 110258268

IUPAC3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
SMILESO=C(O)CCc1cccc(C2CCCN2Cc2ccccc2F)n1
InChIInChI=1S/C19H21FN2O2/c20-16-7-2-1-5-14(16)13-22-12-4-9-18(22)17-8-3-6-15(21-17)10-11-19(23)24/h1-3,5-8,18H,4,9-13H2,(H,23,24)
InChIKeyIIXCVWJHWMPQHM-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.58
Rot. Bonds6

About 3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid

3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid (PubChem CID 110258268) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
PubChem CID110258268
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
SMILESO=C(O)CCc1cccc(C2CCCN2Cc2ccccc2F)n1
InChIInChI=1S/C19H21FN2O2/c20-16-7-2-1-5-14(16)13-22-12-4-9-18(22)17-8-3-6-15(21-17)10-11-19(23)24/h1-3,5-8,18H,4,9-13H2,(H,23,24)
InChIKeyIIXCVWJHWMPQHM-UHFFFAOYSA-N
XLogP3.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid?
The IUPAC name of 3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid (CID 110258268) is 3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid?
The canonical SMILES for 3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid is O=C(O)CCc1cccc(C2CCCN2Cc2ccccc2F)n1.
What is the InChIKey of 3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid?
The InChIKey is IIXCVWJHWMPQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-16-7-2-1-5-14(16)13-22-12-4-9-18(22)17-8-3-6-15(21-17)10-11-19(23)24/h1-3,5-8,18H,4,9-13H2,(H,23,24).
What are the key properties of 3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid?
3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid has a molecular weight of 328.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid is sourced from PubChem (CID 110258268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).