tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate

C12H20N2O4 — CID 167468562

IUPACtert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC2(CC(=O)N2)C1
InChIInChI=1S/C12H20N2O4/c1-11(2,3)18-10(16)14-4-5-17-8-12(7-14)6-9(15)13-12/h4-8H2,1-3H3,(H,13,15)
InChIKeyRLVZYWHTYYBSIU-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.51
Rot. Bonds

About tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate

tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate (PubChem CID 167468562) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate
PubChem CID167468562
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nametert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC2(CC(=O)N2)C1
InChIInChI=1S/C12H20N2O4/c1-11(2,3)18-10(16)14-4-5-17-8-12(7-14)6-9(15)13-12/h4-8H2,1-3H3,(H,13,15)
InChIKeyRLVZYWHTYYBSIU-UHFFFAOYSA-N
XLogP0.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-(2-hydroxypropan-2-yl)-6-methyl-1,4-oxazepane-4-carboxylate
CID 157175899
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 56973607
6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid
CID 155895331
tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate
CID 124710760
2-[6-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepan-6-yl]acetic acid
CID 155893559
tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate
CID 71305747
tert-butyl 9-oxo-1-oxa-4-azaspiro[5.5]undecane-4-carboxylate
CID 71305766
tert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate
CID 127263641
tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate
CID 130941465
tert-butyl morpholine-4-carboxylate;propan-1-ol
CID 145379856
tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
CID 177216424

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate?
The IUPAC name of tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate (CID 167468562) is tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate.
What is the SMILES notation for tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate?
The canonical SMILES for tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate is CC(C)(C)OC(=O)N1CCOCC2(CC(=O)N2)C1.
What is the InChIKey of tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate?
The InChIKey is RLVZYWHTYYBSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-11(2,3)18-10(16)14-4-5-17-8-12(7-14)6-9(15)13-12/h4-8H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate?
tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate is sourced from PubChem (CID 167468562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).