1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid

C12H14N2O6 — CID 24699380

IUPAC1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2cc(O)[nH]c(=O)c2)C1
InChIInChI=1S/C12H14N2O6/c1-20-7-4-8(12(18)19)14(5-7)11(17)6-2-9(15)13-10(16)3-6/h2-3,7-8H,4-5H2,1H3,(H,18,19)(H2,13,15,16)
InChIKeyAIYNLASENYDCBO-UHFFFAOYSA-N
MW282.25 g/mol
LogP-0.61
Rot. Bonds3

About 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 24699380) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID24699380
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2cc(O)[nH]c(=O)c2)C1
InChIInChI=1S/C12H14N2O6/c1-20-7-4-8(12(18)19)14(5-7)11(17)6-2-9(15)13-10(16)3-6/h2-3,7-8H,4-5H2,1H3,(H,18,19)(H2,13,15,16)
InChIKeyAIYNLASENYDCBO-UHFFFAOYSA-N
XLogP-0.61
TPSA119.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 24699380) is 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)c2cc(O)[nH]c(=O)c2)C1.
What is the InChIKey of 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is AIYNLASENYDCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c1-20-7-4-8(12(18)19)14(5-7)11(17)6-2-9(15)13-10(16)3-6/h2-3,7-8H,4-5H2,1H3,(H,18,19)(H2,13,15,16).
What are the key properties of 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 282.25 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24699380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).