tert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate

C13H23NO3 — CID 10911685

IUPACtert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate
SMILESCC(C)(C)OC(=O)[C@@]12CCCN1CCC[C@@H]2O
InChIInChI=1S/C13H23NO3/c1-12(2,3)17-11(16)13-7-5-9-14(13)8-4-6-10(13)15/h10,15H,4-9H2,1-3H3/t10-,13-/m0/s1
InChIKeyUCUZOQJOYHBNEC-GWCFXTLKSA-N
MW241.33 g/mol
LogP1.32
Rot. Bonds1

About tert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate

tert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate (PubChem CID 10911685) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate.

Molecular Properties

Compound Nametert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate
PubChem CID10911685
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate
SMILESCC(C)(C)OC(=O)[C@@]12CCCN1CCC[C@@H]2O
InChIInChI=1S/C13H23NO3/c1-12(2,3)17-11(16)13-7-5-9-14(13)8-4-6-10(13)15/h10,15H,4-9H2,1-3H3/t10-,13-/m0/s1
InChIKeyUCUZOQJOYHBNEC-GWCFXTLKSA-N
XLogP1.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate with MolForge

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Related Compounds

1-[(8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]-2-methylpropan-1-one
CID 100958081
methyl (1S,7S,8R,8aR)-7-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylate
CID 10890981
ethyl 2-(1-hydroxy-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl)acetate
CID 81886742
1-[(8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]-2-methylbutan-1-one
CID 100958080
Methyl 8-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-7-carboxylate
CID 105452126
1-(Oxan-2-ylmethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978714

Frequently Asked Questions

What is the IUPAC name of tert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate?
The IUPAC name of tert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate (CID 10911685) is tert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate.
What is the SMILES notation for tert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate?
The canonical SMILES for tert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate is CC(C)(C)OC(=O)[C@@]12CCCN1CCC[C@@H]2O.
What is the InChIKey of tert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate?
The InChIKey is UCUZOQJOYHBNEC-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)13-7-5-9-14(13)8-4-6-10(13)15/h10,15H,4-9H2,1-3H3/t10-,13-/m0/s1.
What are the key properties of tert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate?
tert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (8S,8aS)-8-hydroxy-2,3,5,6,7,8-hexahydro-1H-indolizine-8a-carboxylate is sourced from PubChem (CID 10911685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).