2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid

C13H18N2O5 — CID 82056062

IUPAC2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
SMILESCCN(CC)C(=O)COc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C13H18N2O5/c1-3-14(4-2)11(16)9-20-10-6-5-7-15(13(10)19)8-12(17)18/h5-7H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyAEXAHAMBETZRDA-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.18
Rot. Bonds7

About 2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid

2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 82056062) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
PubChem CID82056062
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
SMILESCCN(CC)C(=O)COc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C13H18N2O5/c1-3-14(4-2)11(16)9-20-10-6-5-7-15(13(10)19)8-12(17)18/h5-7H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyAEXAHAMBETZRDA-UHFFFAOYSA-N
XLogP0.18
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143309
2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143469
2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82151934
2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid
CID 82056085
2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid
CID 82056097
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151547
4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 82151424
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866
1-(2-oxopropyl)-3-phenylmethoxypyridin-2-one
CID 135225818
2-(2-acetamidophenoxy)-N,N-diethylacetamide
CID 7688277

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid (CID 82056062) is 2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid is CCN(CC)C(=O)COc1cccn(CC(=O)O)c1=O.
What is the InChIKey of 2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is AEXAHAMBETZRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-3-14(4-2)11(16)9-20-10-6-5-7-15(13(10)19)8-12(17)18/h5-7H,3-4,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid?
2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 82056062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).