2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid

C15H21NO3 — CID 112569186

IUPAC2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid
SMILESCOc1cc(C)nc(CC(C(=O)O)C2CCCC2)c1
InChIInChI=1S/C15H21NO3/c1-10-7-13(19-2)8-12(16-10)9-14(15(17)18)11-5-3-4-6-11/h7-8,11,14H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyLTJVUEJQCFFLQH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.83
Rot. Bonds5

About 2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid

2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid (PubChem CID 112569186) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid
PubChem CID112569186
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid
SMILESCOc1cc(C)nc(CC(C(=O)O)C2CCCC2)c1
InChIInChI=1S/C15H21NO3/c1-10-7-13(19-2)8-12(16-10)9-14(15(17)18)11-5-3-4-6-11/h7-8,11,14H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyLTJVUEJQCFFLQH-UHFFFAOYSA-N
XLogP2.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid (CID 112569186) is 2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid is COc1cc(C)nc(CC(C(=O)O)C2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid?
The InChIKey is LTJVUEJQCFFLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-7-13(19-2)8-12(16-10)9-14(15(17)18)11-5-3-4-6-11/h7-8,11,14H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid?
2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 112569186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).