tert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate

C15H26N2O3 — CID 74788379

IUPACtert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC1(CNCCO1)C2
InChIInChI=1S/C15H26N2O3/c1-14(2,3)20-13(18)17-11-4-5-12(17)9-15(8-11)10-16-6-7-19-15/h11-12,16H,4-10H2,1-3H3/t11-,12+,15?
InChIKeySWXVOKDTXKRXKI-ODOQXGPZSA-N
MW282.38 g/mol
LogP1.91
Rot. Bonds

About tert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate

tert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate (PubChem CID 74788379) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
PubChem CID74788379
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC1(CNCCO1)C2
InChIInChI=1S/C15H26N2O3/c1-14(2,3)20-13(18)17-11-4-5-12(17)9-15(8-11)10-16-6-7-19-15/h11-12,16H,4-10H2,1-3H3/t11-,12+,15?
InChIKeySWXVOKDTXKRXKI-ODOQXGPZSA-N
XLogP1.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,8-Dimethyl-1-oxa-8-azaspiro[4.5]decan-3-yl) carbamic acid ethyl ester
CID 10445156
rac-tert-butyl N-((2R,3S)-2-(piperidin-4-yl)oxan-3-yl)carbamate
CID 125180940
Tert-butyl 3-[(piperidin-4-yl)methyl]morpholine-4-carboxylate
CID 165828253
Tert-butyl 3-hydroxy-3-((methylamino)methyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 91812180
Tert-butyl 4'-methyl-5'-oxo-8-azaspiro[bicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
CID 91812250
4'-Methyl-8-azaspiro[bicyclo[3.2.1]octane-3,2'-morpholin]-5'-one hydrochloride
CID 91812251
4'-Cyclopropyl-8-azaspiro[bicyclo[3.2.1]octane-3,2'-morpholin]-5'-one hydrochloride
CID 91812255
4'-(Tert-butyl)-8-azaspiro[bicyclo[3.2.1]octane-3,2'-morpholin]-5'-one hydrochloride
CID 91812262
8-Azaspiro[bicyclo[3.2.1]octane-3,2'-morpholin]-5'-one hydrochloride
CID 91812266
3-(2,2-Difluoroethyl)spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one
CID 168058135
5'-(2,2,2-Trifluoroethyl)-8-azaspiro[bicyclo[3.2.1]octane-3,2'-[1,5]oxazinan]-6'-one hydrochloride
CID 168058136
3-(2,2,2-Trifluoroethyl)spiro[1,3-oxazinane-6,3'-8-azabicyclo[3.2.1]octane]-2-one
CID 168058137

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
The IUPAC name of tert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate (CID 74788379) is tert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate.
What is the SMILES notation for tert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
The canonical SMILES for tert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate is CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC1(CNCCO1)C2.
What is the InChIKey of tert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
The InChIKey is SWXVOKDTXKRXKI-ODOQXGPZSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2,3)20-13(18)17-11-4-5-12(17)9-15(8-11)10-16-6-7-19-15/h11-12,16H,4-10H2,1-3H3/t11-,12+,15?.
What are the key properties of tert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate?
tert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate is sourced from PubChem (CID 74788379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).