tert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate

C10H17NO2 — CID 151276398

IUPACtert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CC=CNC1
InChIInChI=1S/C10H17NO2/c1-10(2,3)13-9(12)8-5-4-6-11-7-8/h4,6,8,11H,5,7H2,1-3H3
InChIKeyNXLBUZGDDOQUAX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.45
Rot. Bonds1

About tert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate

tert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate (PubChem CID 151276398) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate
PubChem CID151276398
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CC=CNC1
InChIInChI=1S/C10H17NO2/c1-10(2,3)13-9(12)8-5-4-6-11-7-8/h4,6,8,11H,5,7H2,1-3H3
InChIKeyNXLBUZGDDOQUAX-UHFFFAOYSA-N
XLogP1.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1,2,3,4-tetrahydropyridine-3-carboxylate;hydrobromide
CID 143647184
tert-butyl cyclopropanecarboxylate
CID 157212632
3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
CID 23443973
tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate
CID 124575955
tert-butyl (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
CID 138393835
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
CID 15283651
tert-butyl cyclododecanecarboxylate
CID 154013086
tert-butyl (5R)-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 91040516
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
tert-butyl 3-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 176874445
ditert-butyl 5-(tert-butylamino)cyclohexane-1,3-dicarboxylate
CID 171748856

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate?
The IUPAC name of tert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate (CID 151276398) is tert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate?
The canonical SMILES for tert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate is CC(C)(C)OC(=O)C1CC=CNC1.
What is the InChIKey of tert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate?
The InChIKey is NXLBUZGDDOQUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)8-5-4-6-11-7-8/h4,6,8,11H,5,7H2,1-3H3.
What are the key properties of tert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate?
tert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,2,3,4-tetrahydropyridine-3-carboxylate is sourced from PubChem (CID 151276398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).