tert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate

C13H23NO3 — CID 132527368

IUPACtert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOCC1=C(C)N(C(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C13H23NO3/c1-10-11(9-16-5)7-6-8-14(10)12(15)17-13(2,3)4/h6-9H2,1-5H3
InChIKeyJSRIQLWUZDWTDZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.94
Rot. Bonds2

About tert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 132527368) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID132527368
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOCC1=C(C)N(C(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C13H23NO3/c1-10-11(9-16-5)7-6-8-14(10)12(15)17-13(2,3)4/h6-9H2,1-5H3
InChIKeyJSRIQLWUZDWTDZ-UHFFFAOYSA-N
XLogP2.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 132527368) is tert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is COCC1=C(C)N(C(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is JSRIQLWUZDWTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-11(9-16-5)7-6-8-14(10)12(15)17-13(2,3)4/h6-9H2,1-5H3.
What are the key properties of tert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(methoxymethyl)-6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 132527368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).