1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid

C10H11NO5 — CID 82099919

IUPAC1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1C(C)C(=O)O
InChIInChI=1S/C10H11NO5/c1-5-3-4-7(10(15)16)8(12)11(5)6(2)9(13)14/h3-4,6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyVYHLYSXJBIJWRN-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.50
Rot. Bonds3

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

1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 82099919) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID82099919
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1C(C)C(=O)O
InChIInChI=1S/C10H11NO5/c1-5-3-4-7(10(15)16)8(12)11(5)6(2)9(13)14/h3-4,6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyVYHLYSXJBIJWRN-UHFFFAOYSA-N
XLogP0.50
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-oxo-1-(3-oxobutan-2-yl)pyridine-3-carboxylic acid
CID 82099930
6-methyl-2-oxo-1-(1-oxo-1-phenylpropan-2-yl)pyridine-3-carboxylic acid
CID 82099938
2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)-3-methylbutanoic acid
CID 82151725
butan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate
CID 82064725
6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 82099792
6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid
CID 62876183
6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 62875870
1-but-3-ynyl-6-methyl-2-oxopyridine-3-carboxylic acid
CID 63656074
methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate
CID 92670417
1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82124199
2,3-dimethylterephthalic acid
CID 158313107
6-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxylic acid
CID 55125700

Frequently Asked Questions

What is the IUPAC name of 1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid (CID 82099919) is 1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1C(C)C(=O)O.
What is the InChIKey of 1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is VYHLYSXJBIJWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-5-3-4-7(10(15)16)8(12)11(5)6(2)9(13)14/h3-4,6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-carboxyethyl)-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82099919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).