4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid

C16H24N2O5 — CID 82151424

IUPAC4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid
SMILESCCCCN(C)C(=O)COc1cccn(CCCC(=O)O)c1=O
InChIInChI=1S/C16H24N2O5/c1-3-4-9-17(2)14(19)12-23-13-7-5-10-18(16(13)22)11-6-8-15(20)21/h5,7,10H,3-4,6,8-9,11-12H2,1-2H3,(H,20,21)
InChIKeyOTFYSNWXPCECPP-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.35
Rot. Bonds10

About 4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid

4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid (PubChem CID 82151424) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid
PubChem CID82151424
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid
SMILESCCCCN(C)C(=O)COc1cccn(CCCC(=O)O)c1=O
InChIInChI=1S/C16H24N2O5/c1-3-4-9-17(2)14(19)12-23-13-7-5-10-18(16(13)22)11-6-8-15(20)21/h5,7,10H,3-4,6,8-9,11-12H2,1-2H3,(H,20,21)
InChIKeyOTFYSNWXPCECPP-UHFFFAOYSA-N
XLogP1.35
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide
CID 82151935
5-(3-heptoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 98900242
4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43092346
5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151547
3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid
CID 98646565
4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43240316
4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
CID 43092345
2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143309
2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
CID 82056062
5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid
CID 82151546
5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid
CID 94758205
2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82151934

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid?
The IUPAC name of 4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid (CID 82151424) is 4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid?
The canonical SMILES for 4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid is CCCCN(C)C(=O)COc1cccn(CCCC(=O)O)c1=O.
What is the InChIKey of 4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid?
The InChIKey is OTFYSNWXPCECPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-3-4-9-17(2)14(19)12-23-13-7-5-10-18(16(13)22)11-6-8-15(20)21/h5,7,10H,3-4,6,8-9,11-12H2,1-2H3,(H,20,21).
What are the key properties of 4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid?
4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid has a molecular weight of 324.38 g/mol, XLogP of 1.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid is sourced from PubChem (CID 82151424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).