methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate

C14H18N2O4 — CID 75420393

IUPACmethyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC)CN1C(=O)c1cccc(C)n1
InChIInChI=1S/C14H18N2O4/c1-9-5-4-6-11(15-9)13(17)16-8-10(19-2)7-12(16)14(18)20-3/h4-6,10,12H,7-8H2,1-3H3
InChIKeyAQQLFRXHTYTKAK-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.79
Rot. Bonds3

About methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate

methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 75420393) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID75420393
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC)CN1C(=O)c1cccc(C)n1
InChIInChI=1S/C14H18N2O4/c1-9-5-4-6-11(15-9)13(17)16-8-10(19-2)7-12(16)14(18)20-3/h4-6,10,12H,7-8H2,1-3H3
InChIKeyAQQLFRXHTYTKAK-UHFFFAOYSA-N
XLogP0.79
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate (CID 75420393) is methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(OC)CN1C(=O)c1cccc(C)n1.
What is the InChIKey of methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is AQQLFRXHTYTKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-5-4-6-11(15-9)13(17)16-8-10(19-2)7-12(16)14(18)20-3/h4-6,10,12H,7-8H2,1-3H3.
What are the key properties of methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate?
methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-1-(6-methylpyridine-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 75420393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).