1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid

C16H15NO6 — CID 90156305

IUPAC1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c(OCc2ccccc2)c(=O)n1CC(=O)O
InChIInChI=1S/C16H15NO6/c1-10-7-12(16(21)22)14(15(20)17(10)8-13(18)19)23-9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,18,19)(H,21,22)
InChIKeyDSOJUNIVQDYEJC-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.52
Rot. Bonds6

About 1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid

1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid (PubChem CID 90156305) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid
PubChem CID90156305
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Name1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c(OCc2ccccc2)c(=O)n1CC(=O)O
InChIInChI=1S/C16H15NO6/c1-10-7-12(16(21)22)14(15(20)17(10)8-13(18)19)23-9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,18,19)(H,21,22)
InChIKeyDSOJUNIVQDYEJC-UHFFFAOYSA-N
XLogP1.52
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid?
The IUPAC name of 1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid (CID 90156305) is 1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid.
What is the SMILES notation for 1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid?
The canonical SMILES for 1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid is Cc1cc(C(=O)O)c(OCc2ccccc2)c(=O)n1CC(=O)O.
What is the InChIKey of 1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid?
The InChIKey is DSOJUNIVQDYEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6/c1-10-7-12(16(21)22)14(15(20)17(10)8-13(18)19)23-9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,18,19)(H,21,22).
What are the key properties of 1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid?
1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid has a molecular weight of 317.30 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carboxymethyl)-6-methyl-2-oxo-3-phenylmethoxypyridine-4-carboxylic acid is sourced from PubChem (CID 90156305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).