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

C13H23NO2 — CID 58782021

IUPACtert-butyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCC[C@@H]1CC(C(=O)OC(C)(C)C)=CCN1C
InChIInChI=1S/C13H23NO2/c1-6-11-9-10(7-8-14(11)5)12(15)16-13(2,3)4/h7,11H,6,8-9H2,1-5H3/t11-/m1/s1
InChIKeySAGONHMLWSZRCS-LLVKDONJSA-N
MW225.33 g/mol
LogP2.37
Rot. Bonds2

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

tert-butyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate (PubChem CID 58782021) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
PubChem CID58782021
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCC[C@@H]1CC(C(=O)OC(C)(C)C)=CCN1C
InChIInChI=1S/C13H23NO2/c1-6-11-9-10(7-8-14(11)5)12(15)16-13(2,3)4/h7,11H,6,8-9H2,1-5H3/t11-/m1/s1
InChIKeySAGONHMLWSZRCS-LLVKDONJSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate (CID 58782021) is tert-butyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate is CC[C@@H]1CC(C(=O)OC(C)(C)C)=CCN1C.
What is the InChIKey of tert-butyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The InChIKey is SAGONHMLWSZRCS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-11-9-10(7-8-14(11)5)12(15)16-13(2,3)4/h7,11H,6,8-9H2,1-5H3/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?
tert-butyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 58782021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).