tert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate

C13H23N3O3 — CID 71145324

IUPACtert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCN1NC2(CCN(C(=O)OC(C)(C)C)CC2)CC1=O
InChIInChI=1S/C13H23N3O3/c1-12(2,3)19-11(18)16-7-5-13(6-8-16)9-10(17)15(4)14-13/h14H,5-9H2,1-4H3
InChIKeyDEHDXYOCTNMLPU-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.12
Rot. Bonds

About tert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate

tert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate (PubChem CID 71145324) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate
PubChem CID71145324
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCN1NC2(CCN(C(=O)OC(C)(C)C)CC2)CC1=O
InChIInChI=1S/C13H23N3O3/c1-12(2,3)19-11(18)16-7-5-13(6-8-16)9-10(17)15(4)14-13/h14H,5-9H2,1-4H3
InChIKeyDEHDXYOCTNMLPU-UHFFFAOYSA-N
XLogP1.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate (CID 71145324) is tert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate is CN1NC2(CCN(C(=O)OC(C)(C)C)CC2)CC1=O.
What is the InChIKey of tert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate?
The InChIKey is DEHDXYOCTNMLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-12(2,3)19-11(18)16-7-5-13(6-8-16)9-10(17)15(4)14-13/h14H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate?
tert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 71145324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).