4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid

C11H12N2O4 — CID 126643889

IUPAC4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2CNC(=O)C2C(=O)O)cn1
InChIInChI=1S/C11H12N2O4/c1-17-8-3-2-6(4-12-8)7-5-13-10(14)9(7)11(15)16/h2-4,7,9H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyLMLVXEHQAWHWLW-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.00
Rot. Bonds3

About 4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid

4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid (PubChem CID 126643889) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid
PubChem CID126643889
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2CNC(=O)C2C(=O)O)cn1
InChIInChI=1S/C11H12N2O4/c1-17-8-3-2-6(4-12-8)7-5-13-10(14)9(7)11(15)16/h2-4,7,9H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyLMLVXEHQAWHWLW-UHFFFAOYSA-N
XLogP0.00
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride
CID 129244238
(3S,4R)-4-(4-methoxyphenyl)-2-oxopiperidine-3-carboxylic acid
CID 140888273
methyl (3S,4S)-2-oxo-4-pyridin-3-ylpyrrolidine-3-carboxylate
CID 97416726
4-(6-methoxy-3-pyridinyl)azetidin-2-one
CID 114938690
4-(6-methoxy-3-pyridinyl)-3-(2-methylpropyl)piperidine-2,6-dione
CID 114938878
(3R,4S)-4-(2-chloro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 155904610
2-amino-4-(6-methoxy-3-pyridinyl)-1,4-dihydroimidazol-5-one
CID 114939075
4-(6-methoxy-3-pyridinyl)-1,3-oxazolidin-2-one
CID 114938799
2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 114938524
cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde
CID 130863052
2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde
CID 59988721
5-(2-ethylcyclopropyl)-2-methoxypyridine
CID 59988749

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid (CID 126643889) is 4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid is COc1ccc(C2CNC(=O)C2C(=O)O)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid?
The InChIKey is LMLVXEHQAWHWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-17-8-3-2-6(4-12-8)7-5-13-10(14)9(7)11(15)16/h2-4,7,9H,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid?
4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 126643889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).