tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate

C12H19NO5 — CID 167468572

IUPACtert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(COC(=O)O2)C1
InChIInChI=1S/C12H19NO5/c1-11(2,3)17-9(14)13-6-4-5-12(7-13)8-16-10(15)18-12/h4-8H2,1-3H3
InChIKeySOYREVVSLMXXSD-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.92
Rot. Bonds

About tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate

tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate (PubChem CID 167468572) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate
PubChem CID167468572
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Nametert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC2(COC(=O)O2)C1
InChIInChI=1S/C12H19NO5/c1-11(2,3)17-9(14)13-6-4-5-12(7-13)8-16-10(15)18-12/h4-8H2,1-3H3
InChIKeySOYREVVSLMXXSD-UHFFFAOYSA-N
XLogP1.92
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
CID 176720221
8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-8-azaspiro[5.5]undecane-2-carboxylic acid
CID 162342316
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 22975821
(3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid
CID 97111514
tert-butyl (2R,5R)-2-formyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
CID 71763342
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 9-oxo-1-oxa-4-azaspiro[5.5]undecane-4-carboxylate
CID 71305766
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 90236843
tert-butyl 2-(4-hydroxyphenyl)-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
CID 53485911
tert-butyl (1S)-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxylate
CID 99872278

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate (CID 167468572) is tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate is CC(C)(C)OC(=O)N1CCCC2(COC(=O)O2)C1.
What is the InChIKey of tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
The InChIKey is SOYREVVSLMXXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-11(2,3)17-9(14)13-6-4-5-12(7-13)8-16-10(15)18-12/h4-8H2,1-3H3.
What are the key properties of tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate?
tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-1,3-dioxa-9-azaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 167468572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).