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

C12H21NO2 — CID 58781937

IUPACtert-butyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESC[C@@H]1CC(C(=O)OC(C)(C)C)=CCN1C
InChIInChI=1S/C12H21NO2/c1-9-8-10(6-7-13(9)5)11(14)15-12(2,3)4/h6,9H,7-8H2,1-5H3/t9-/m1/s1
InChIKeyHWEYMXOEKJXVFU-SECBINFHSA-N
MW211.30 g/mol
LogP1.98
Rot. Bonds1

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

tert-butyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate (PubChem CID 58781937) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is tert-butyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate
PubChem CID58781937
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nametert-butyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESC[C@@H]1CC(C(=O)OC(C)(C)C)=CCN1C
InChIInChI=1S/C12H21NO2/c1-9-8-10(6-7-13(9)5)11(14)15-12(2,3)4/h6,9H,7-8H2,1-5H3/t9-/m1/s1
InChIKeyHWEYMXOEKJXVFU-SECBINFHSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate (CID 58781937) is tert-butyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate is C[C@@H]1CC(C(=O)OC(C)(C)C)=CCN1C.
What is the InChIKey of tert-butyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The InChIKey is HWEYMXOEKJXVFU-SECBINFHSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-8-10(6-7-13(9)5)11(14)15-12(2,3)4/h6,9H,7-8H2,1-5H3/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate?
tert-butyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 58781937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).