2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid

C11H15NO3 — CID 84676768

IUPAC2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid
SMILESCC(C)(C)Oc1ccncc1CC(=O)O
InChIInChI=1S/C11H15NO3/c1-11(2,3)15-9-4-5-12-7-8(9)6-10(13)14/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyHGQVWBUCGZPHQU-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.89
Rot. Bonds3

About 2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid

2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid (PubChem CID 84676768) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid
PubChem CID84676768
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid
SMILESCC(C)(C)Oc1ccncc1CC(=O)O
InChIInChI=1S/C11H15NO3/c1-11(2,3)15-9-4-5-12-7-8(9)6-10(13)14/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyHGQVWBUCGZPHQU-UHFFFAOYSA-N
XLogP1.89
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]pyridine-4-carboxamide
CID 91643727
2-(4-propan-2-yl-3-pyridinyl)acetic acid
CID 82409628
3-(4-ethoxy-3-pyridinyl)propanoic acid
CID 84666014
2-[2-[(3-methyl-4-pyridinyl)oxy]phenyl]acetic acid
CID 80742147
[4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine
CID 81253366
4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)pyridin-3-amine
CID 115877006
2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid
CID 115008844
tert-butyl N-[2-(4-chloro-3-pyridinyl)ethyl]carbamate
CID 141078611
2-(4-methoxy-3-pyridinyl)-2-methylpropanoic acid
CID 115009175
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]propanamide
CID 122159496
2-[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetic acid
CID 84676771
3-(iodomethyl)-4-methoxypyridine
CID 130559780

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid (CID 84676768) is 2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid is CC(C)(C)Oc1ccncc1CC(=O)O.
What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid?
The InChIKey is HGQVWBUCGZPHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,3)15-9-4-5-12-7-8(9)6-10(13)14/h4-5,7H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid?
2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid has a molecular weight of 209.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid is sourced from PubChem (CID 84676768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).