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

C11H12N2O5 — CID 24691014

IUPAC4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C11H12N2O5/c14-6-4-8(11(17)18)13(5-6)10(16)7-2-1-3-12-9(7)15/h1-3,6,8,14H,4-5H2,(H,12,15)(H,17,18)
InChIKeyIGSOSKBKBBHLRW-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.97
Rot. Bonds2

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

4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 24691014) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID24691014
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C11H12N2O5/c14-6-4-8(11(17)18)13(5-6)10(16)7-2-1-3-12-9(7)15/h1-3,6,8,14H,4-5H2,(H,12,15)(H,17,18)
InChIKeyIGSOSKBKBBHLRW-UHFFFAOYSA-N
XLogP-0.97
TPSA110.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 24691014) is 4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)c1ccc[nH]c1=O.
What is the InChIKey of 4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IGSOSKBKBBHLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-6-4-8(11(17)18)13(5-6)10(16)7-2-1-3-12-9(7)15/h1-3,6,8,14H,4-5H2,(H,12,15)(H,17,18).
What are the key properties of 4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of -0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24691014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).