2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid

C12H15NO3 — CID 18922125

IUPAC2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid
SMILESO=C(O)C(O)(c1ccccn1)C1CCCC1
InChIInChI=1S/C12H15NO3/c14-11(15)12(16,9-5-1-2-6-9)10-7-3-4-8-13-10/h3-4,7-9,16H,1-2,5-6H2,(H,14,15)
InChIKeyCVXJLZDMPFHEKS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.54
Rot. Bonds3

About 2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid

2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid (PubChem CID 18922125) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid
PubChem CID18922125
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid
SMILESO=C(O)C(O)(c1ccccn1)C1CCCC1
InChIInChI=1S/C12H15NO3/c14-11(15)12(16,9-5-1-2-6-9)10-7-3-4-8-13-10/h3-4,7-9,16H,1-2,5-6H2,(H,14,15)
InChIKeyCVXJLZDMPFHEKS-UHFFFAOYSA-N
XLogP1.54
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-pyridin-2-ylpropanoic acid
CID 70421817
1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol
CID 146397118
2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 56924194
2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 83725276
2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid
CID 18922154
2-cyclopentyl-2-hydroxy-2-phenylacetohydrazide
CID 71945316
2-hydroxy-3-methyl-2-pyridin-2-ylbutanoic acid
CID 83698678
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
2-[cyclopropylmethyl(methyl)amino]-2-pyridin-2-ylpropanoic acid
CID 114991937
2-[cyclopropyl(difluoro)methyl]pyridine
CID 116841751
2-cyclopentyl-2-(furan-3-yl)-2-hydroxyacetic acid
CID 18922058
(1R)-1-cyclohexyl-1-pyridin-2-yl-2-(1,2,4-triazol-1-yl)ethanol
CID 92754326

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid?
The IUPAC name of 2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid (CID 18922125) is 2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid.
What is the SMILES notation for 2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid?
The canonical SMILES for 2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid is O=C(O)C(O)(c1ccccn1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid?
The InChIKey is CVXJLZDMPFHEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-11(15)12(16,9-5-1-2-6-9)10-7-3-4-8-13-10/h3-4,7-9,16H,1-2,5-6H2,(H,14,15).
What are the key properties of 2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid?
2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-hydroxy-2-pyridin-2-ylacetic acid is sourced from PubChem (CID 18922125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).