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

C11H12N2O6 — CID 24690199

IUPAC4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C11H12N2O6/c14-6-3-7(11(18)19)13(4-6)10(17)5-1-8(15)12-9(16)2-5/h1-2,6-7,14H,3-4H2,(H,18,19)(H2,12,15,16)
InChIKeyKMEFYFPWQFIGRC-UHFFFAOYSA-N
MW268.23 g/mol
LogP-1.26
Rot. Bonds2

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

4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 24690199) has the molecular formula C11H12N2O6 and a molecular weight of 268.23 g/mol. Its IUPAC name is 4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID24690199
Molecular FormulaC11H12N2O6
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C11H12N2O6/c14-6-3-7(11(18)19)13(4-6)10(17)5-1-8(15)12-9(16)2-5/h1-2,6-7,14H,3-4H2,(H,18,19)(H2,12,15,16)
InChIKeyKMEFYFPWQFIGRC-UHFFFAOYSA-N
XLogP-1.26
TPSA130.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 24690199) is 4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KMEFYFPWQFIGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O6/c14-6-3-7(11(18)19)13(4-6)10(17)5-1-8(15)12-9(16)2-5/h1-2,6-7,14H,3-4H2,(H,18,19)(H2,12,15,16).
What are the key properties of 4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of -1.26, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24690199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).