2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid

C12H16N2O2 — CID 83822398

IUPAC2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid
SMILESCN1CCC(C(C(=O)O)c2ccncc2)C1
InChIInChI=1S/C12H16N2O2/c1-14-7-4-10(8-14)11(12(15)16)9-2-5-13-6-3-9/h2-3,5-6,10-11H,4,7-8H2,1H3,(H,15,16)
InChIKeyBJLZAEMIVWJESQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.20
Rot. Bonds3

About 2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid

2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid (PubChem CID 83822398) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid
PubChem CID83822398
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid
SMILESCN1CCC(C(C(=O)O)c2ccncc2)C1
InChIInChI=1S/C12H16N2O2/c1-14-7-4-10(8-14)11(12(15)16)9-2-5-13-6-3-9/h2-3,5-6,10-11H,4,7-8H2,1H3,(H,15,16)
InChIKeyBJLZAEMIVWJESQ-UHFFFAOYSA-N
XLogP1.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid (CID 83822398) is 2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid is CN1CCC(C(C(=O)O)c2ccncc2)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid?
The InChIKey is BJLZAEMIVWJESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-7-4-10(8-14)11(12(15)16)9-2-5-13-6-3-9/h2-3,5-6,10-11H,4,7-8H2,1H3,(H,15,16).
What are the key properties of 2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid?
2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid has a molecular weight of 220.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)-2-pyridin-4-ylacetic acid is sourced from PubChem (CID 83822398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).