2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid

C15H23NO4 — CID 82152064

IUPAC2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid
SMILESCCCCOc1cccn(C(CC)(CC)C(=O)O)c1=O
InChIInChI=1S/C15H23NO4/c1-4-7-11-20-12-9-8-10-16(13(12)17)15(5-2,6-3)14(18)19/h8-10H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyCLCKAQQACZGYIQ-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.63
Rot. Bonds8

About 2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid

2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid (PubChem CID 82152064) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid
PubChem CID82152064
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid
SMILESCCCCOc1cccn(C(CC)(CC)C(=O)O)c1=O
InChIInChI=1S/C15H23NO4/c1-4-7-11-20-12-9-8-10-16(13(12)17)15(5-2,6-3)14(18)19/h8-10H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyCLCKAQQACZGYIQ-UHFFFAOYSA-N
XLogP2.63
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]butanoic acid
CID 82152071
2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid
CID 94745934
2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid
CID 82056085
2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid
CID 82143396
3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid
CID 98646565
5-(3-heptoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 98900242
2-(3-hexoxy-2-oxo-1-pyridinyl)-3-methylbutanoic acid
CID 82151667
3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
CID 82150733
5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid
CID 82056227
2-butoxybenzoic acid;carbonic acid
CID 137455653
2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid
CID 82056097
[2-[(2-benzoyl-3-butoxyphenyl)methyl]-6-butoxyphenyl]-phenylmethanone
CID 101304169

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid?
The IUPAC name of 2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid (CID 82152064) is 2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid.
What is the SMILES notation for 2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid?
The canonical SMILES for 2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid is CCCCOc1cccn(C(CC)(CC)C(=O)O)c1=O.
What is the InChIKey of 2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid?
The InChIKey is CLCKAQQACZGYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-7-11-20-12-9-8-10-16(13(12)17)15(5-2,6-3)14(18)19/h8-10H,4-7,11H2,1-3H3,(H,18,19).
What are the key properties of 2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid?
2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid is sourced from PubChem (CID 82152064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).