tert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate

C13H20N2O3 — CID 129410152

IUPACtert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate
SMILESCC(C)(C)OC(=O)CO[C@H]1CCc2nccn2C1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)9-17-10-4-5-11-14-6-7-15(11)8-10/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1
InChIKeyBEZLSQIEUVVHIL-JTQLQIEISA-N
MW252.31 g/mol
LogP1.56
Rot. Bonds3

About tert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate

tert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate (PubChem CID 129410152) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is tert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate
PubChem CID129410152
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nametert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate
SMILESCC(C)(C)OC(=O)CO[C@H]1CCc2nccn2C1
InChIInChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)9-17-10-4-5-11-14-6-7-15(11)8-10/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1
InChIKeyBEZLSQIEUVVHIL-JTQLQIEISA-N
XLogP1.56
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate with MolForge

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Related Compounds

6-methoxy-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 25209511
2-cyclohexyloxy-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 129333576
(6R)-6-[(2-methylpropan-2-yl)oxy]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 139402727
2-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86771999
tert-butyl 2-cyclopent-3-en-1-yloxyacetate
CID 123892094
N,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)oxolane-2-carboxamide
CID 128969056
N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-3,4-dihydro-2H-pyran-5-carboxamide
CID 129006707
1-(2-cyano-2-methylpropyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 128994207
tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate
CID 143503788
1-hydroxy-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)cyclohexane-1-carboxamide
CID 129006672
[4-[[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]phenyl]methanol
CID 129343365
N-methyl-5-propan-2-yl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide
CID 129334863

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate?
The IUPAC name of tert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate (CID 129410152) is tert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate.
What is the SMILES notation for tert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate?
The canonical SMILES for tert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate is CC(C)(C)OC(=O)CO[C@H]1CCc2nccn2C1.
What is the InChIKey of tert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate?
The InChIKey is BEZLSQIEUVVHIL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)9-17-10-4-5-11-14-6-7-15(11)8-10/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1.
What are the key properties of tert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate?
tert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate has a molecular weight of 252.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxy]acetate is sourced from PubChem (CID 129410152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).