methyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate

C15H21NO4 — CID 90892317

IUPACmethyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate
SMILESCOCc1cc(CC(=O)OC)nc(CC(=O)C(C)C)c1
InChIInChI=1S/C15H21NO4/c1-10(2)14(17)7-12-5-11(9-19-3)6-13(16-12)8-15(18)20-4/h5-6,10H,7-9H2,1-4H3
InChIKeyNZVNIUMFWDRUEA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.71
Rot. Bonds7

About methyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate

methyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate (PubChem CID 90892317) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate
PubChem CID90892317
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate
SMILESCOCc1cc(CC(=O)OC)nc(CC(=O)C(C)C)c1
InChIInChI=1S/C15H21NO4/c1-10(2)14(17)7-12-5-11(9-19-3)6-13(16-12)8-15(18)20-4/h5-6,10H,7-9H2,1-4H3
InChIKeyNZVNIUMFWDRUEA-UHFFFAOYSA-N
XLogP1.71
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate (CID 90892317) is methyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate is COCc1cc(CC(=O)OC)nc(CC(=O)C(C)C)c1.
What is the InChIKey of methyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate?
The InChIKey is NZVNIUMFWDRUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)14(17)7-12-5-11(9-19-3)6-13(16-12)8-15(18)20-4/h5-6,10H,7-9H2,1-4H3.
What are the key properties of methyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate?
methyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate is sourced from PubChem (CID 90892317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).