3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate

C17H29NO4 — CID 171921915

IUPAC3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate
SMILESCOC(=O)C1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C17H29NO4/c1-16(2,3)22-15(20)18-10-8-17(9-11-18)7-5-6-13(12-17)14(19)21-4/h13H,5-12H2,1-4H3
InChIKeyJRXBQJDDLHGXNQ-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.37
Rot. Bonds1

About 3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate

3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate (PubChem CID 171921915) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is 3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate.

Molecular Properties

Compound Name3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate
PubChem CID171921915
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate
SMILESCOC(=O)C1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C17H29NO4/c1-16(2,3)22-15(20)18-10-8-17(9-11-18)7-5-6-13(12-17)14(19)21-4/h13H,5-12H2,1-4H3
InChIKeyJRXBQJDDLHGXNQ-UHFFFAOYSA-N
XLogP3.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-3-carboxylate
CID 70943313
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl (3R)-3-(hydroxymethyl)-8-azaspiro[4.5]decane-8-carboxylate
CID 124896537
tert-butyl 7-(cyclohexanecarbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 163728766
tert-butyl 3-morpholin-4-yl-8-azaspiro[4.5]decane-8-carboxylate
CID 169144108
tert-butyl 9-bromo-3-azaspiro[5.5]undecane-3-carboxylate
CID 156503670
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-2-carboxylate
CID 134129306
tert-butyl 9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 66850495
8-O-tert-butyl 3-O-methyl (3S,4S)-4-hydroxy-8-azaspiro[4.5]decane-3,8-dicarboxylate
CID 97111241
tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate
CID 167430090
tert-butyl 7-(aminomethyl)-2-azaspiro[4.5]decane-2-carboxylate
CID 82379496

Frequently Asked Questions

What is the IUPAC name of 3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate?
The IUPAC name of 3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate (CID 171921915) is 3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate.
What is the SMILES notation for 3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate?
The canonical SMILES for 3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate is COC(=O)C1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of 3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate?
The InChIKey is JRXBQJDDLHGXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-16(2,3)22-15(20)18-10-8-17(9-11-18)7-5-6-13(12-17)14(19)21-4/h13H,5-12H2,1-4H3.
What are the key properties of 3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate?
3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate has a molecular weight of 311.42 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-tert-butyl 10-O-methyl 3-azaspiro[5.5]undecane-3,10-dicarboxylate is sourced from PubChem (CID 171921915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).