tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate

C12H20N2O3 — CID 86330800

IUPACtert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@]2(CCNC2=O)C1
InChIInChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-7-5-12(8-14)4-6-13-9(12)15/h4-8H2,1-3H3,(H,13,15)/t12-/m0/s1
InChIKeyRJXAFHSMTSRJKE-LBPRGKRZSA-N
MW240.30 g/mol
LogP1.13
Rot. Bonds

About tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate

tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate (PubChem CID 86330800) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
PubChem CID86330800
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nametert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@]2(CCNC2=O)C1
InChIInChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-7-5-12(8-14)4-6-13-9(12)15/h4-8H2,1-3H3,(H,13,15)/t12-/m0/s1
InChIKeyRJXAFHSMTSRJKE-LBPRGKRZSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 74788415
tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate
CID 83488912
tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373529
tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130625530
tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82387927
tert-butyl 5-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379509
tert-butyl (4R,5S)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 97111728
tert-butyl (4R,5R)-4-(hydroxymethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 97111729
tert-butyl 4-hydroxy-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 86709491

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate (CID 86330800) is tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CC[C@@]2(CCNC2=O)C1.
What is the InChIKey of tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate?
The InChIKey is RJXAFHSMTSRJKE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-7-5-12(8-14)4-6-13-9(12)15/h4-8H2,1-3H3,(H,13,15)/t12-/m0/s1.
What are the key properties of tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate?
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 86330800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).