tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate

C15H28N2O3 — CID 129069930

IUPACtert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate
SMILESC[C@H]1CNCC2(CCCN(C(=O)OC(C)(C)C)CC2)O1
InChIInChI=1S/C15H28N2O3/c1-12-10-16-11-15(19-12)6-5-8-17(9-7-15)13(18)20-14(2,3)4/h12,16H,5-11H2,1-4H3/t12-,15?/m0/s1
InChIKeyMIUOUWOYBOKLMU-SFVWDYPZSA-N
MW284.40 g/mol
LogP2.15
Rot. Bonds

About tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate

tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate (PubChem CID 129069930) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate
PubChem CID129069930
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate
SMILESC[C@H]1CNCC2(CCCN(C(=O)OC(C)(C)C)CC2)O1
InChIInChI=1S/C15H28N2O3/c1-12-10-16-11-15(19-12)6-5-8-17(9-7-15)13(18)20-14(2,3)4/h12,16H,5-11H2,1-4H3/t12-,15?/m0/s1
InChIKeyMIUOUWOYBOKLMU-SFVWDYPZSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate with MolForge

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Related Compounds

acetic acid;tert-butyl 2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130202721
tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate
CID 129073943
tert-butyl 2-(5-formyloxan-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 134312366
acetic acid;2-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 118562479
tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate
CID 155896173
tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488546
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
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
tert-butyl (2R)-2-formyl-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
CID 97305329
tert-butyl (2R)-2-(hydroxymethyl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
CID 94863807

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate?
The IUPAC name of tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate (CID 129069930) is tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate is C[C@H]1CNCC2(CCCN(C(=O)OC(C)(C)C)CC2)O1.
What is the InChIKey of tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate?
The InChIKey is MIUOUWOYBOKLMU-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12-10-16-11-15(19-12)6-5-8-17(9-7-15)13(18)20-14(2,3)4/h12,16H,5-11H2,1-4H3/t12-,15?/m0/s1.
What are the key properties of tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate?
tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-methyl-1-oxa-4,10-diazaspiro[5.6]dodecane-10-carboxylate is sourced from PubChem (CID 129069930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).