tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate

C21H37NO5 — CID 175533465

IUPACtert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate
SMILESCC(C)(C)OC(=O)COC1CCC2(CCNC(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C21H37NO5/c1-19(2,3)26-17(23)14-25-15-7-9-21(10-8-15)11-12-22-16(13-21)18(24)27-20(4,5)6/h15-16,22H,7-14H2,1-6H3
InChIKeyMWHMVLUDPLQOAI-UHFFFAOYSA-N
MW383.53 g/mol
LogP3.37
Rot. Bonds4

About tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate

tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate (PubChem CID 175533465) has the molecular formula C21H37NO5 and a molecular weight of 383.53 g/mol. Its IUPAC name is tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate
PubChem CID175533465
Molecular FormulaC21H37NO5
Molecular Weight383.53 g/mol
Exact Mass383.27
IUPAC Nametert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate
SMILESCC(C)(C)OC(=O)COC1CCC2(CCNC(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C21H37NO5/c1-19(2,3)26-17(23)14-25-15-7-9-21(10-8-15)11-12-22-16(13-21)18(24)27-20(4,5)6/h15-16,22H,7-14H2,1-6H3
InChIKeyMWHMVLUDPLQOAI-UHFFFAOYSA-N
XLogP3.37
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate
CID 126620309
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate
CID 140638339
tert-butyl spiro[2.4]heptane-6-carboxylate
CID 141217808
tert-butyl 2-cyclopent-3-en-1-yloxyacetate
CID 123892094
tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate
CID 143503788
tert-butyl 9-(2-ethoxy-2-oxoethoxy)-3-azaspiro[5.5]undecane-3-carboxylate
CID 178069186
methyl (2S,3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-2-carboxylate
CID 150757343
tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate
CID 96845258
tert-butyl 2-[(1R,3S)-3-hydroxycyclohexyl]oxyacetate
CID 58280201
tert-butyl 4-(4-chlorophenyl)-4-pyridin-4-ylpiperidine-2-carboxylate
CID 71149847

Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate?
The IUPAC name of tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate (CID 175533465) is tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate.
What is the SMILES notation for tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate?
The canonical SMILES for tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate is CC(C)(C)OC(=O)COC1CCC2(CCNC(C(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate?
The InChIKey is MWHMVLUDPLQOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO5/c1-19(2,3)26-17(23)14-25-15-7-9-21(10-8-15)11-12-22-16(13-21)18(24)27-20(4,5)6/h15-16,22H,7-14H2,1-6H3.
What are the key properties of tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate?
tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate has a molecular weight of 383.53 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate is sourced from PubChem (CID 175533465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).