tert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate

C19H32N2O3 — CID 169161086

IUPACtert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC1(C2)CN(C2CCOCC2)C1
InChIInChI=1S/C19H32N2O3/c1-18(2,3)24-17(22)21-15-4-5-16(21)11-19(10-15)12-20(13-19)14-6-8-23-9-7-14/h14-16H,4-13H2,1-3H3/t15-,16+
InChIKeyRSFNKZHZFYJYOV-IYBDPMFKSA-N
MW336.48 g/mol
LogP3.03
Rot. Bonds1

About tert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate

tert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate (PubChem CID 169161086) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate
PubChem CID169161086
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Nametert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC1(C2)CN(C2CCOCC2)C1
InChIInChI=1S/C19H32N2O3/c1-18(2,3)24-17(22)21-15-4-5-16(21)11-19(10-15)12-20(13-19)14-6-8-23-9-7-14/h14-16H,4-13H2,1-3H3/t15-,16+
InChIKeyRSFNKZHZFYJYOV-IYBDPMFKSA-N
XLogP3.03
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate with MolForge

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Related Compounds

tert-butyl 3'-morpholin-4-ylspiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carboxylate
CID 175929655
tert-butyl (1S,5R)-3'-aminospiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carboxylate
CID 153400871
tert-butyl (1S,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylate
CID 124544654
tert-butyl 3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 53395263
tert-butyl (1R,5R)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98048603
tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate
CID 69350476
tert-butyl 3-cyclopropyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171953219
tert-butyl 3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;ethane
CID 171827432
tert-butyl 7-hydroxy-7-(oxan-4-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171964914
tert-butyl 3-hydroxy-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 137333297
tert-butyl 4-(oxan-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 169160969
tert-butyl 1'-(1-ethoxy-3-oxopropan-2-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate
CID 170143310

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate?
The IUPAC name of tert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate (CID 169161086) is tert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate.
What is the SMILES notation for tert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate?
The canonical SMILES for tert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate is CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC1(C2)CN(C2CCOCC2)C1.
What is the InChIKey of tert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate?
The InChIKey is RSFNKZHZFYJYOV-IYBDPMFKSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-18(2,3)24-17(22)21-15-4-5-16(21)11-19(10-15)12-20(13-19)14-6-8-23-9-7-14/h14-16H,4-13H2,1-3H3/t15-,16+.
What are the key properties of tert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate?
tert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate has a molecular weight of 336.48 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,5R)-1'-(oxan-4-yl)spiro[8-azabicyclo[3.2.1]octane-3,3'-azetidine]-8-carboxylate is sourced from PubChem (CID 169161086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).