tert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

C14H26N2O3 — CID 171769897

IUPACtert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
SMILESCOC1C[C@]2(C)CNC[C@]1(C)N2C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-12(2,3)19-11(17)16-13(4)7-10(18-6)14(16,5)9-15-8-13/h10,15H,7-9H2,1-6H3/t10?,13-,14+/m1/s1
InChIKeyBZRJIICEKWJXOX-ADSMYIAOSA-N
MW270.37 g/mol
LogP1.76
Rot. Bonds1

About tert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

tert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171769897) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
PubChem CID171769897
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
SMILESCOC1C[C@]2(C)CNC[C@]1(C)N2C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-12(2,3)19-11(17)16-13(4)7-10(18-6)14(16,5)9-15-8-13/h10,15H,7-9H2,1-6H3/t10?,13-,14+/m1/s1
InChIKeyBZRJIICEKWJXOX-ADSMYIAOSA-N
XLogP1.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

tert-butyl 6-(methoxymethoxy)-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 171770114
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 1-methyl-2,8-diazabicyclo[5.2.0]nonane-2-carboxylate
CID 130114811
tert-butyl (1S,3R)-3-amino-1-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 167370049
tert-butyl (7S)-7-methoxy-4-azaspiro[2.4]hept-1-ene-4-carboxylate
CID 146598131
tert-butyl (1S,2R,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 154677157
tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate
CID 153335647
tert-butyl 2-cyclopropyl-2,5,5-trimethylpiperazine-1-carboxylate
CID 90013519
tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
tert-butyl (4S)-4-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 139416435
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-methoxy-2-methylpyrrolidine-1-carboxylate
CID 125448936
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate (CID 171769897) is tert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate is COC1C[C@]2(C)CNC[C@]1(C)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is BZRJIICEKWJXOX-ADSMYIAOSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-12(2,3)19-11(17)16-13(4)7-10(18-6)14(16,5)9-15-8-13/h10,15H,7-9H2,1-6H3/t10?,13-,14+/m1/s1.
What are the key properties of tert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,5S)-6-methoxy-1,5-dimethyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171769897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).