3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid

C15H20N2O3 — CID 66510103

IUPAC3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid
SMILESCC(=O)N1CCCC1c1cc(CCC(=O)O)cc(C)n1
InChIInChI=1S/C15H20N2O3/c1-10-8-12(5-6-15(19)20)9-13(16-10)14-4-3-7-17(14)11(2)18/h8-9,14H,3-7H2,1-2H3,(H,19,20)
InChIKeyFNSJKWVENGXLFG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.09
Rot. Bonds4

About 3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid

3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid (PubChem CID 66510103) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid
PubChem CID66510103
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid
SMILESCC(=O)N1CCCC1c1cc(CCC(=O)O)cc(C)n1
InChIInChI=1S/C15H20N2O3/c1-10-8-12(5-6-15(19)20)9-13(16-10)14-4-3-7-17(14)11(2)18/h8-9,14H,3-7H2,1-2H3,(H,19,20)
InChIKeyFNSJKWVENGXLFG-UHFFFAOYSA-N
XLogP2.09
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid?
The IUPAC name of 3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid (CID 66510103) is 3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid?
The canonical SMILES for 3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid is CC(=O)N1CCCC1c1cc(CCC(=O)O)cc(C)n1.
What is the InChIKey of 3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid?
The InChIKey is FNSJKWVENGXLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-8-12(5-6-15(19)20)9-13(16-10)14-4-3-7-17(14)11(2)18/h8-9,14H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid?
3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid is sourced from PubChem (CID 66510103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).