1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

C12H14N2O5 — CID 102776148

IUPAC1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2cc(O)[nH]c(=O)c2)C1C(=O)O
InChIInChI=1S/C12H14N2O5/c1-6-2-3-14(10(6)12(18)19)11(17)7-4-8(15)13-9(16)5-7/h4-6,10H,2-3H2,1H3,(H,18,19)(H2,13,15,16)
InChIKeyGNYRUXLYZFYKNS-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.02
Rot. Bonds2

About 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102776148) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102776148
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2cc(O)[nH]c(=O)c2)C1C(=O)O
InChIInChI=1S/C12H14N2O5/c1-6-2-3-14(10(6)12(18)19)11(17)7-4-8(15)13-9(16)5-7/h4-6,10H,2-3H2,1H3,(H,18,19)(H2,13,15,16)
InChIKeyGNYRUXLYZFYKNS-UHFFFAOYSA-N
XLogP0.02
TPSA110.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102776148) is 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(=O)c2cc(O)[nH]c(=O)c2)C1C(=O)O.
What is the InChIKey of 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is GNYRUXLYZFYKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-6-2-3-14(10(6)12(18)19)11(17)7-4-8(15)13-9(16)5-7/h4-6,10H,2-3H2,1H3,(H,18,19)(H2,13,15,16).
What are the key properties of 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 266.25 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102776148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).