5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid

C14H19NO2 — CID 83918791

IUPAC5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1ncc(C2CCCC2)cc1C(=O)O
InChIInChI=1S/C14H19NO2/c1-9(2)13-12(14(16)17)7-11(8-15-13)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H,16,17)
InChIKeyFCXHUCYIQMXYPL-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.56
Rot. Bonds3

About 5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid

5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 83918791) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid
PubChem CID83918791
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1ncc(C2CCCC2)cc1C(=O)O
InChIInChI=1S/C14H19NO2/c1-9(2)13-12(14(16)17)7-11(8-15-13)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H,16,17)
InChIKeyFCXHUCYIQMXYPL-UHFFFAOYSA-N
XLogP3.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-cyclobutylpyridine-3-carboxylic acid
CID 105465551
6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533494
2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid
CID 116975236
2-[(5-cyclohexylpyrimidin-2-yl)amino]propanoic acid
CID 116975237
5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid
CID 83919432
6-cyclopropylfuro[3,2-b]pyridine-3-carboxylic acid
CID 141444661
3-fluoro-2-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)pyridine
CID 176932011
5-cyclobutyl-2-(methylamino)pyridine-3-carboxamide
CID 137437719
N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide
CID 123519804
3-methyl-5-(1-methylpiperidin-4-yl)-2-propan-2-ylpyridine
CID 170588740
4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 67380856
3-[(5-cyclohexylpyrimidin-2-yl)amino]butanoic acid
CID 116975261

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid (CID 83918791) is 5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid is CC(C)c1ncc(C2CCCC2)cc1C(=O)O.
What is the InChIKey of 5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is FCXHUCYIQMXYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)13-12(14(16)17)7-11(8-15-13)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid?
5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 83918791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).