tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate

C15H25NO4 — CID 175691146

IUPACtert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CO2)C2(CCOCC2)C1
InChIInChI=1S/C15H25NO4/c1-13(2,3)20-12(17)16-7-4-15(11-19-15)14(10-16)5-8-18-9-6-14/h4-11H2,1-3H3
InChIKeyRRDGGQLMYXTYPX-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.19
Rot. Bonds

About tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate

tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate (PubChem CID 175691146) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate
PubChem CID175691146
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nametert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CO2)C2(CCOCC2)C1
InChIInChI=1S/C15H25NO4/c1-13(2,3)20-12(17)16-7-4-15(11-19-15)14(10-16)5-8-18-9-6-14/h4-11H2,1-3H3
InChIKeyRRDGGQLMYXTYPX-UHFFFAOYSA-N
XLogP2.19
TPSA51.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate
CID 155894181
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 3-iodo-4,4-dimethyl-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 66662552
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl 6-(2-hydroxypropan-2-yl)-6-methyl-1,4-oxazepane-4-carboxylate
CID 157175899
(5S)-5-fluoro-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-7-azaspiro[3.4]octane-5-carboxylic acid
CID 124710201
tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 82380603
tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 169161321
tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate
CID 178200490
tert-butyl 4,4-dimethyl-2-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 66662118
tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 82386799

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate?
The IUPAC name of tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate (CID 175691146) is tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate.
What is the SMILES notation for tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate?
The canonical SMILES for tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate is CC(C)(C)OC(=O)N1CCC2(CO2)C2(CCOCC2)C1.
What is the InChIKey of tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate?
The InChIKey is RRDGGQLMYXTYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-13(2,3)20-12(17)16-7-4-15(11-19-15)14(10-16)5-8-18-9-6-14/h4-11H2,1-3H3.
What are the key properties of tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate?
tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate is sourced from PubChem (CID 175691146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).