tert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

C24H34F3N3O6 — CID 171557186

IUPACtert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(C[C@H]1OC[C@H](Oc3cccc(C(F)(F)F)n3)[C@@H](O)[C@H]1O)C2
InChIInChI=1S/C24H34F3N3O6/c1-22(2,3)36-21(33)30-9-7-23(8-10-30)13-29(14-23)11-15-19(31)20(32)16(12-34-15)35-18-6-4-5-17(28-18)24(25,26)27/h4-6,15-16,19-20,31-32H,7-14H2,1-3H3/t15-,16+,19+,20-/m1/s1
InChIKeyCDEGASBEFBEGPE-GIYDNNGJSA-N
MW517.55 g/mol
LogP2.30
Rot. Bonds4

About tert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 171557186) has the molecular formula C24H34F3N3O6 and a molecular weight of 517.55 g/mol. Its IUPAC name is tert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID171557186
Molecular FormulaC24H34F3N3O6
Molecular Weight517.55 g/mol
Exact Mass517.24
IUPAC Nametert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(C[C@H]1OC[C@H](Oc3cccc(C(F)(F)F)n3)[C@@H](O)[C@H]1O)C2
InChIInChI=1S/C24H34F3N3O6/c1-22(2,3)36-21(33)30-9-7-23(8-10-30)13-29(14-23)11-15-19(31)20(32)16(12-34-15)35-18-6-4-5-17(28-18)24(25,26)27/h4-6,15-16,19-20,31-32H,7-14H2,1-3H3/t15-,16+,19+,20-/m1/s1
InChIKeyCDEGASBEFBEGPE-GIYDNNGJSA-N
XLogP2.30
TPSA104.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.55
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-Butyl 4-{[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy}piperidine-1-carboxylate
CID 67955066
4-[[4-(Methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 67959484
(1-Fluoro-2-methylpropan-2-yl) 4-[[6-(1-hydroxyethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 68712810
4-[[4-(Hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 69672891
4-[[4-[(2-Oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 69673124
Tert-butyl 4-{[4-(methoxymethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy}piperidine-1-carboxylate
CID 69673461
tert-Butyl 4-{[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)pyridin-2-yl]oxy}piperidine-1-carboxylate
CID 86666516
Tert-butyl 4-{[6-(trifluoromethyl)pyridin-2-yl]oxy}piperidine-1-carboxylate
CID 86706857
Tert-butyl 4-{[4-(3-hydroxyoxetan-3-yl)-6-(trifluoromethyl)pyridin-2-yl]oxy}piperidine-1-carboxylate
CID 86706874
Tert-butyl 4-[4-(3-azidooxetan-3-yl)-6-(trifluoromethyl)pyridin-2-yl]oxypiperidine-1-carboxylate
CID 89905745
Tert-butyl 4-[4-(3-aminooxetan-3-yl)-6-(trifluoromethyl)pyridin-2-yl]oxypiperidine-1-carboxylate
CID 89912796
Tert-butyl 3-((6-(trifluoromethyl)pyridin-2-yl)oxy)azetidine-1-carboxylate
CID 122251972

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 171557186) is tert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CN(C[C@H]1OC[C@H](Oc3cccc(C(F)(F)F)n3)[C@@H](O)[C@H]1O)C2.
What is the InChIKey of tert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is CDEGASBEFBEGPE-GIYDNNGJSA-N. The full InChI is InChI=1S/C24H34F3N3O6/c1-22(2,3)36-21(33)30-9-7-23(8-10-30)13-29(14-23)11-15-19(31)20(32)16(12-34-15)35-18-6-4-5-17(28-18)24(25,26)27/h4-6,15-16,19-20,31-32H,7-14H2,1-3H3/t15-,16+,19+,20-/m1/s1.
What are the key properties of tert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 517.55 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 171557186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).