1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid

C16H15NO5 — CID 82099726

IUPAC1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(=O)n2CCC(=O)O)cc1
InChIInChI=1S/C16H15NO5/c1-10-2-4-11(5-3-10)13-7-6-12(16(21)22)15(20)17(13)9-8-14(18)19/h2-7H,8-9H2,1H3,(H,18,19)(H,21,22)
InChIKeyRMAUKOANDDFJFO-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.00
Rot. Bonds5

About 1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid

1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 82099726) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
PubChem CID82099726
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(=O)n2CCC(=O)O)cc1
InChIInChI=1S/C16H15NO5/c1-10-2-4-11(5-3-10)13-7-6-12(16(21)22)15(20)17(13)9-8-14(18)19/h2-7H,8-9H2,1H3,(H,18,19)(H,21,22)
InChIKeyRMAUKOANDDFJFO-UHFFFAOYSA-N
XLogP2.00
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82099715
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82099746
6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82519227
6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82519998
1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82520836
1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
CID 82099701
6-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxylic acid
CID 82099856
3-[2-(4-methoxyphenyl)-5-methylpyrrol-1-yl]propanoic acid
CID 91673181
3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099191
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid
CID 82100024
1-(2-methoxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carbothioamide
CID 82520710

Frequently Asked Questions

What is the IUPAC name of 1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid (CID 82099726) is 1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)c(=O)n2CCC(=O)O)cc1.
What is the InChIKey of 1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is RMAUKOANDDFJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-10-2-4-11(5-3-10)13-7-6-12(16(21)22)15(20)17(13)9-8-14(18)19/h2-7H,8-9H2,1H3,(H,18,19)(H,21,22).
What are the key properties of 1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid?
1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82099726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).