4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C12H14N2O5 — CID 24694013

IUPAC4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H14N2O5/c1-19-8-4-9(12(17)18)14(6-8)11(16)7-2-3-10(15)13-5-7/h2-3,5,8-9H,4,6H2,1H3,(H,13,15)(H,17,18)
InChIKeyYJSVVVFUSOGGIS-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.31
Rot. Bonds3

About 4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 24694013) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID24694013
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H14N2O5/c1-19-8-4-9(12(17)18)14(6-8)11(16)7-2-3-10(15)13-5-7/h2-3,5,8-9H,4,6H2,1H3,(H,13,15)(H,17,18)
InChIKeyYJSVVVFUSOGGIS-UHFFFAOYSA-N
XLogP-0.31
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 24694013) is 4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YJSVVVFUSOGGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-19-8-4-9(12(17)18)14(6-8)11(16)7-2-3-10(15)13-5-7/h2-3,5,8-9H,4,6H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 266.25 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24694013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).