2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid

C15H23NO3 — CID 82523698

IUPAC2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid
SMILESCCCCn1c(C(C)(C)C)ccc(CC(=O)O)c1=O
InChIInChI=1S/C15H23NO3/c1-5-6-9-16-12(15(2,3)4)8-7-11(14(16)19)10-13(17)18/h7-8H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyRFQFVQAFCJIEHB-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.57
Rot. Bonds5

About 2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid

2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid (PubChem CID 82523698) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid
PubChem CID82523698
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid
SMILESCCCCn1c(C(C)(C)C)ccc(CC(=O)O)c1=O
InChIInChI=1S/C15H23NO3/c1-5-6-9-16-12(15(2,3)4)8-7-11(14(16)19)10-13(17)18/h7-8H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyRFQFVQAFCJIEHB-UHFFFAOYSA-N
XLogP2.57
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)propanoic acid
CID 82523689
3-(bromomethyl)-1-butyl-6-tert-butylpyridin-2-one
CID 82523700
6-tert-butyl-2-oxo-1-pentylpyridine-3-carboxylic acid
CID 82523612
2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid
CID 82525356
6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one
CID 82523834
6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one
CID 82523460
3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one
CID 82189045
3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid
CID 82524208
3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
CID 82521098
2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid
CID 82520595
3-(bromomethyl)-1-butyl-6-methylpyridin-2-one
CID 82525141
1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one
CID 82521163

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid?
The IUPAC name of 2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid (CID 82523698) is 2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid is CCCCn1c(C(C)(C)C)ccc(CC(=O)O)c1=O.
What is the InChIKey of 2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid?
The InChIKey is RFQFVQAFCJIEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-6-9-16-12(15(2,3)4)8-7-11(14(16)19)10-13(17)18/h7-8H,5-6,9-10H2,1-4H3,(H,17,18).
What are the key properties of 2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid?
2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid has a molecular weight of 265.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid is sourced from PubChem (CID 82523698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).