2-(6-tert-butyl-3-pyridinyl)acetic acid

C11H15NO2 — CID 58436565

IUPAC2-(6-tert-butyl-3-pyridinyl)acetic acid
SMILESCC(C)(C)c1ccc(CC(=O)O)cn1
InChIInChI=1S/C11H15NO2/c1-11(2,3)9-5-4-8(7-12-9)6-10(13)14/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyFZZJJABREKDGST-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.01
Rot. Bonds2

About 2-(6-tert-butyl-3-pyridinyl)acetic acid

2-(6-tert-butyl-3-pyridinyl)acetic acid (PubChem CID 58436565) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(6-tert-butyl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-tert-butyl-3-pyridinyl)acetic acid
PubChem CID58436565
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(6-tert-butyl-3-pyridinyl)acetic acid
SMILESCC(C)(C)c1ccc(CC(=O)O)cn1
InChIInChI=1S/C11H15NO2/c1-11(2,3)9-5-4-8(7-12-9)6-10(13)14/h4-5,7H,6H2,1-3H3,(H,13,14)
InChIKeyFZZJJABREKDGST-UHFFFAOYSA-N
XLogP2.01
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
2-[(6-tert-butyl-3-pyridinyl)methylamino]-2-methylpropanoic acid;2,2,2-trifluoroacetic acid
CID 166288990
1-[(6-tert-butyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 134595460
17-oxo-18-[6-(trifluoromethyl)-3-pyridinyl]octadecanoic acid
CID 158712353
3-(6-tert-butyl-3-pyridinyl)prop-2-enoic acid
CID 53416025
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
2-[6-(2,5-dimethylphenyl)-3-pyridinyl]acetic acid
CID 117001558
2-tert-butyl-5-(2-phenylpropyl)pyridine
CID 170131220
2-[6-(2-phenylethyl)-3-pyridinyl]acetic acid
CID 117001540
2-[1-[(6-tert-butyl-3-pyridinyl)methyl]-5,5-difluoroazepan-4-yl]acetic acid
CID 166288962
6-tert-butylpyridine-3-carboxamide;ethane
CID 144695705
2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 83896648

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-3-pyridinyl)acetic acid?
The IUPAC name of 2-(6-tert-butyl-3-pyridinyl)acetic acid (CID 58436565) is 2-(6-tert-butyl-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-tert-butyl-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-tert-butyl-3-pyridinyl)acetic acid is CC(C)(C)c1ccc(CC(=O)O)cn1.
What is the InChIKey of 2-(6-tert-butyl-3-pyridinyl)acetic acid?
The InChIKey is FZZJJABREKDGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,3)9-5-4-8(7-12-9)6-10(13)14/h4-5,7H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-(6-tert-butyl-3-pyridinyl)acetic acid?
2-(6-tert-butyl-3-pyridinyl)acetic acid has a molecular weight of 193.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-3-pyridinyl)acetic acid is sourced from PubChem (CID 58436565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).