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

C9H9NO5 — CID 18323849

IUPAC1-(carboxymethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC(=O)O
InChIInChI=1S/C9H9NO5/c1-5-2-3-6(9(14)15)8(13)10(5)4-7(11)12/h2-3H,4H2,1H3,(H,11,12)(H,14,15)
InChIKeyPILMSSHTHWVXJL-UHFFFAOYSA-N
MW211.17 g/mol
LogP-0.06
Rot. Bonds3

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

1-(carboxymethyl)-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 18323849) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 1-(carboxymethyl)-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(carboxymethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID18323849
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name1-(carboxymethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC(=O)O
InChIInChI=1S/C9H9NO5/c1-5-2-3-6(9(14)15)8(13)10(5)4-7(11)12/h2-3H,4H2,1H3,(H,11,12)(H,14,15)
InChIKeyPILMSSHTHWVXJL-UHFFFAOYSA-N
XLogP-0.06
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(carboxymethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(carboxymethyl)-6-methyl-2-oxopyridine-3-carboxylic acid (CID 18323849) is 1-(carboxymethyl)-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(carboxymethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(carboxymethyl)-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1CC(=O)O.
What is the InChIKey of 1-(carboxymethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is PILMSSHTHWVXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c1-5-2-3-6(9(14)15)8(13)10(5)4-7(11)12/h2-3H,4H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 1-(carboxymethyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
1-(carboxymethyl)-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 211.17 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carboxymethyl)-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 18323849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).