tert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate

C20H28F3N3O3 — CID 155716658

IUPACtert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2COc1cccc(NCC(F)(F)F)n1
InChIInChI=1S/C20H28F3N3O3/c1-18(2,3)29-17(27)26-9-7-19(8-10-26)11-14(19)12-28-16-6-4-5-15(25-16)24-13-20(21,22)23/h4-6,14H,7-13H2,1-3H3,(H,24,25)/t14-/m0/s1
InChIKeyVSYOACZSTWZSCX-AWEZNQCLSA-N
MW415.46 g/mol
LogP4.47
Rot. Bonds5

About tert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 155716658) has the molecular formula C20H28F3N3O3 and a molecular weight of 415.46 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID155716658
Molecular FormulaC20H28F3N3O3
Molecular Weight415.46 g/mol
Exact Mass415.21
IUPAC Nametert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2COc1cccc(NCC(F)(F)F)n1
InChIInChI=1S/C20H28F3N3O3/c1-18(2,3)29-17(27)26-9-7-19(8-10-26)11-14(19)12-28-16-6-4-5-15(25-16)24-13-20(21,22)23/h4-6,14H,7-13H2,1-3H3,(H,24,25)/t14-/m0/s1
InChIKeyVSYOACZSTWZSCX-AWEZNQCLSA-N
XLogP4.47
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylic acid
CID 155256158
tert-butyl 2-(bromomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 121207544
tert-butyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate;hydrochloride
CID 86280112
tert-butyl 2-[3-[[6-chloro-5-(dimethylcarbamoyl)-2-pyridinyl]oxy]propyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 142325154
tert-butyl 2-butyl-6-azaspiro[2.5]octane-6-carboxylate
CID 150980287
3-O-benzyl 9-O-tert-butyl 5-(aminomethyl)-3,9-diazaspiro[5.5]undecane-3,9-dicarboxylate
CID 71305297
tert-butyl 4-[[6-[(2-phenyl-1,3-thiazol-4-yl)carbamoylamino]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 59110576
tert-butyl 2-[[(4-chlorophenyl)methylcarbamoylamino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 166834739
tert-butyl (4S)-4-amino-2,2-difluoro-8-azaspiro[4.5]decane-8-carboxylate
CID 155904836
tert-butyl 3-[(6-amino-2-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 18771787
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
tert-butyl 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 71715127

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate (CID 155716658) is tert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2COc1cccc(NCC(F)(F)F)n1.
What is the InChIKey of tert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is VSYOACZSTWZSCX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H28F3N3O3/c1-18(2,3)29-17(27)26-9-7-19(8-10-26)11-14(19)12-28-16-6-4-5-15(25-16)24-13-20(21,22)23/h4-6,14H,7-13H2,1-3H3,(H,24,25)/t14-/m0/s1.
What are the key properties of tert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate?
tert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 415.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[6-(2,2,2-trifluoroethylamino)-2-pyridinyl]oxymethyl]-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 155716658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).