tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate

C11H18N2O3 — CID 170907562

IUPACtert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC12CNC(=O)C2
InChIInChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-5-4-11(13)6-8(14)12-7-11/h4-7H2,1-3H3,(H,12,14)
InChIKeyRHFBLFHDDBTUIT-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.89
Rot. Bonds

About tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate

tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate (PubChem CID 170907562) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate
PubChem CID170907562
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nametert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC12CNC(=O)C2
InChIInChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-5-4-11(13)6-8(14)12-7-11/h4-7H2,1-3H3,(H,12,14)
InChIKeyRHFBLFHDDBTUIT-UHFFFAOYSA-N
XLogP0.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 134506707
tert-butyl 1,7-diazaspiro[3.4]octane-1-carboxylate;oxalic acid
CID 118705199
tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate
CID 130765018
tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
CID 56962197
tert-butyl 7-bromo-1-azaspiro[3.5]nonane-1-carboxylate
CID 155894832
tert-butyl 8-oxo-1-azaspiro[4.4]nonane-1-carboxylate
CID 135395018
bis(tert-butyl 4,7-diazaspiro[2.5]octane-4-carboxylate);oxalic acid
CID 134129817
tert-butyl 6-amino-1-azaspiro[3.4]octane-1-carboxylate
CID 138112241
tert-butyl 6-ethynyl-6-methyl-1-azaspiro[3.3]heptane-1-carboxylate
CID 170917651
tert-butyl 2,2-dimethyl-8-oxo-5-azaspiro[3.5]nonane-5-carboxylate
CID 155891564
6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate
CID 71305336
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate?
The IUPAC name of tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate (CID 170907562) is tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate.
What is the SMILES notation for tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate?
The canonical SMILES for tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate is CC(C)(C)OC(=O)N1CCC12CNC(=O)C2.
What is the InChIKey of tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate?
The InChIKey is RHFBLFHDDBTUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-10(2,3)16-9(15)13-5-4-11(13)6-8(14)12-7-11/h4-7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate?
tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-oxo-1,7-diazaspiro[3.4]octane-1-carboxylate is sourced from PubChem (CID 170907562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).