2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid

C11H15NO3 — CID 82238702

IUPAC2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid
SMILESCC(C)OC(C)(C(=O)O)c1ccncc1
InChIInChI=1S/C11H15NO3/c1-8(2)15-11(3,10(13)14)9-4-6-12-7-5-9/h4-8H,1-3H3,(H,13,14)
InChIKeyFKIYMBCVPRAFPY-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.81
Rot. Bonds4

About 2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid

2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid (PubChem CID 82238702) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid
PubChem CID82238702
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid
SMILESCC(C)OC(C)(C(=O)O)c1ccncc1
InChIInChI=1S/C11H15NO3/c1-8(2)15-11(3,10(13)14)9-4-6-12-7-5-9/h4-8H,1-3H3,(H,13,14)
InChIKeyFKIYMBCVPRAFPY-UHFFFAOYSA-N
XLogP1.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-pyridin-4-ylpropanoic acid
CID 82236563
2-(4-ethylphenyl)-2-propan-2-yloxypropanoic acid
CID 114992341
2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid
CID 84725487
3-hydroxy-2-methyl-3-pyridin-4-ylbutanoic acid
CID 62397995
2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride
CID 146014247
2-(2-methylpropylsulfanyl)-2-pyridin-4-ylpropanoic acid
CID 114994631
2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 114990548
2-(dimethylamino)-2-pyridin-4-ylpropanoic acid
CID 43803131
2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 114990587
4-(2-pyridin-4-ylpropan-2-yl)pyridine
CID 20584229
2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 61024665
2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid
CID 114990339

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid (CID 82238702) is 2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid is CC(C)OC(C)(C(=O)O)c1ccncc1.
What is the InChIKey of 2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid?
The InChIKey is FKIYMBCVPRAFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(2)15-11(3,10(13)14)9-4-6-12-7-5-9/h4-8H,1-3H3,(H,13,14).
What are the key properties of 2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid?
2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 82238702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).