2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid

C12H14N2O4 — CID 114938524

IUPAC2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)CC(=O)N2C)cn1
InChIInChI=1S/C12H14N2O4/c1-14-10(15)5-8(12(16)17)11(14)7-3-4-9(18-2)13-6-7/h3-4,6,8,11H,5H2,1-2H3,(H,16,17)
InChIKeyZDLUOTFCHCHXIK-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.69
Rot. Bonds3

About 2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid

2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 114938524) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID114938524
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2C(C(=O)O)CC(=O)N2C)cn1
InChIInChI=1S/C12H14N2O4/c1-14-10(15)5-8(12(16)17)11(14)7-3-4-9(18-2)13-6-7/h3-4,6,8,11H,5H2,1-2H3,(H,16,17)
InChIKeyZDLUOTFCHCHXIK-UHFFFAOYSA-N
XLogP0.69
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
1-ethyl-2-(6-methoxy-3-pyridinyl)-7-oxoazepane-3-carboxylic acid
CID 114938541
(2R,3S)-2-(3,4-dichlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 94772115
(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 51970481
(2R,3R)-2-(4-ethylphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 94769672
trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride
CID 129244238
methyl (3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
CID 58291565
2-[1-(4-fluorophenyl)pyrazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 91654399
4-(6-methoxy-3-pyridinyl)azetidin-2-one
CID 114938690
4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid
CID 126643889
2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 113463528

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid (CID 114938524) is 2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid is COc1ccc(C2C(C(=O)O)CC(=O)N2C)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is ZDLUOTFCHCHXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-14-10(15)5-8(12(16)17)11(14)7-3-4-9(18-2)13-6-7/h3-4,6,8,11H,5H2,1-2H3,(H,16,17).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114938524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).