tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate

C12H20F2N2O2 — CID 170898194

IUPACtert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C1)CC(F)(F)C[C@H]2N
InChIInChI=1S/C12H20F2N2O2/c1-10(2,3)18-9(17)16-6-11(7-16)5-12(13,14)4-8(11)15/h8H,4-7,15H2,1-3H3/t8-/m1/s1
InChIKeyQZUJLYBHQIYSBU-MRVPVSSYSA-N
MW262.30 g/mol
LogP1.98
Rot. Bonds

About tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate

tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 170898194) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate
PubChem CID170898194
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Nametert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C1)CC(F)(F)C[C@H]2N
InChIInChI=1S/C12H20F2N2O2/c1-10(2,3)18-9(17)16-6-11(7-16)5-12(13,14)4-8(11)15/h8H,4-7,15H2,1-3H3/t8-/m1/s1
InChIKeyQZUJLYBHQIYSBU-MRVPVSSYSA-N
XLogP1.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl (4S)-4-amino-2,2-difluoro-8-azaspiro[4.5]decane-8-carboxylate
CID 155904836
tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
CID 129408071
tert-butyl 4-amino-3,3-difluoropyrrolidine-1-carboxylate;ethane
CID 144626869
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 71305964
tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate
CID 50986404
tert-butyl 4-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 82380941
tert-butyl 2-(2-aminopropyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 84708274
tert-butyl 5-amino-8-oxo-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 71305890
tert-butyl 2-(3-oxobutyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 84711913
tert-butyl (3R,4S)-3-amino-6-azaspiro[3.5]nonane-6-carboxylate
CID 97294860

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate (CID 170898194) is tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(C1)CC(F)(F)C[C@H]2N.
What is the InChIKey of tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate?
The InChIKey is QZUJLYBHQIYSBU-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c1-10(2,3)18-9(17)16-6-11(7-16)5-12(13,14)4-8(11)15/h8H,4-7,15H2,1-3H3/t8-/m1/s1.
What are the key properties of tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate?
tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 262.30 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 170898194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).