tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate

C12H20N2O3 — CID 56973607

IUPACtert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(=O)N2)C1
InChIInChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-7-6-12(8-14)5-4-9(15)13-12/h4-8H2,1-3H3,(H,13,15)
InChIKeyKDEWBRLRCKHABS-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.28
Rot. Bonds

About tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate

tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate (PubChem CID 56973607) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
PubChem CID56973607
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nametert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(=O)N2)C1
InChIInChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-7-6-12(8-14)5-4-9(15)13-12/h4-8H2,1-3H3,(H,13,15)
InChIKeyKDEWBRLRCKHABS-UHFFFAOYSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate
CID 124710760
tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate
CID 167468562
tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
CID 177216424
[(7S)-2-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[6,8-dihydro-5H-1,8-naphthyridine-7,3'-pyrrolidine]-3-yl]boronic acid
CID 166585401
tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate
CID 82623314
tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379511
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl 2-oxo-3-pyrimidin-5-yl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 146405717
tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate
CID 130941465
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
CID 42614152

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate (CID 56973607) is tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCC(=O)N2)C1.
What is the InChIKey of tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate?
The InChIKey is KDEWBRLRCKHABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-7-6-12(8-14)5-4-9(15)13-12/h4-8H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate?
tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 56973607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).