6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate

C14H24N2O4 — CID 84715284

IUPAC6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate
SMILESCOC(=O)C1(N)CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H24N2O4/c1-12(2,3)20-11(18)16-7-5-13(6-8-16)9-14(13,15)10(17)19-4/h5-9,15H2,1-4H3
InChIKeyXWKLLJICKQHKAS-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.28
Rot. Bonds1

About 6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate

6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate (PubChem CID 84715284) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate.

Molecular Properties

Compound Name6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate
PubChem CID84715284
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate
SMILESCOC(=O)C1(N)CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H24N2O4/c1-12(2,3)20-11(18)16-7-5-13(6-8-16)9-14(13,15)10(17)19-4/h5-9,15H2,1-4H3
InChIKeyXWKLLJICKQHKAS-UHFFFAOYSA-N
XLogP1.28
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-O-tert-butyl 2-O-methyl 2-amino-5-azaspiro[2.4]heptane-2,5-dicarboxylate
CID 84712725
1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate
CID 67487447
1-O-tert-butyl 4-O-methyl 4-(methoxymethyl)piperidine-1,4-dicarboxylate
CID 118290173
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
1-O-tert-butyl 3-O-methyl (3R)-3-fluoropyrrolidine-1,3-dicarboxylate
CID 86685754
tert-butyl 2-amino-2-(hydroxymethyl)-7-azaspiro[2.6]nonane-7-carboxylate
CID 84712733
1-O-tert-butyl 4-O-methyl 4-(2-oxopropoxy)piperidine-1,4-dicarboxylate
CID 121306018
tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride
CID 91828194
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
dimethyl 4-aminopiperidine-1,4-dicarboxylate
CID 131627153
1-O-tert-butyl 4-O-methyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1,4-dicarboxylate
CID 74890385
1-O-tert-butyl 4-O-methyl 3,3-difluoro-4-methylpiperidine-1,4-dicarboxylate
CID 84815102

Frequently Asked Questions

What is the IUPAC name of 6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate?
The IUPAC name of 6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate (CID 84715284) is 6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate.
What is the SMILES notation for 6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate?
The canonical SMILES for 6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate is COC(=O)C1(N)CC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of 6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate?
The InChIKey is XWKLLJICKQHKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-12(2,3)20-11(18)16-7-5-13(6-8-16)9-14(13,15)10(17)19-4/h5-9,15H2,1-4H3.
What are the key properties of 6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate?
6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate has a molecular weight of 284.36 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate is sourced from PubChem (CID 84715284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).