2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate

C16H26NO4- — CID 71773048

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CCC(C(=O)[O-])CC2)C1
InChIInChI=1S/C16H27NO4/c1-15(2,3)21-14(20)17-10-4-7-16(11-17)8-5-12(6-9-16)13(18)19/h12H,4-11H2,1-3H3,(H,18,19)/p-1
InChIKeyBNJCUGKGUFDPKL-UHFFFAOYSA-M
MW296.39 g/mol
LogP1.94
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate

2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate (PubChem CID 71773048) has the molecular formula C16H26NO4- and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate
PubChem CID71773048
Molecular FormulaC16H26NO4-
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(CCC(C(=O)[O-])CC2)C1
InChIInChI=1S/C16H27NO4/c1-15(2,3)21-14(20)17-10-4-7-16(11-17)8-5-12(6-9-16)13(18)19/h12H,4-11H2,1-3H3,(H,18,19)/p-1
InChIKeyBNJCUGKGUFDPKL-UHFFFAOYSA-M
XLogP1.94
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylate
CID 91927722
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-2-carboxylate
CID 134129306
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
6-O-tert-butyl 2-O-methyl 2-fluoro-6-azaspiro[3.5]nonane-2,6-dicarboxylate
CID 177329745
tert-butyl 8-carbamoyl-2-azaspiro[4.4]nonane-2-carboxylate
CID 167430090
tert-butyl 8-cyclohexyl-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 68969463
tert-butyl 2-methylsulfonyloxy-6-azaspiro[3.5]nonane-6-carboxylate
CID 86730910
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
tert-butyl (5R)-8-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 163302209
tert-butyl 3,3-difluoroazepane-1-carboxylate
CID 67979523
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059
tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate
CID 97171663

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate (CID 71773048) is 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate is CC(C)(C)OC(=O)N1CCCC2(CCC(C(=O)[O-])CC2)C1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate?
The InChIKey is BNJCUGKGUFDPKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H27NO4/c1-15(2,3)21-14(20)17-10-4-7-16(11-17)8-5-12(6-9-16)13(18)19/h12H,4-11H2,1-3H3,(H,18,19)/p-1.
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate?
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 71773048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).