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

C14H25N3O3 — CID 122539474

IUPACtert-butyl 1-ethyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCCN1NC(=O)CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H25N3O3/c1-5-17-14(10-11(18)15-17)6-8-16(9-7-14)12(19)20-13(2,3)4/h5-10H2,1-4H3,(H,15,18)
InChIKeyQKVYWKLMYXILIV-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.51
Rot. Bonds1

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

tert-butyl 1-ethyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate (PubChem CID 122539474) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 1-ethyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-ethyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate
PubChem CID122539474
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl 1-ethyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCCN1NC(=O)CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C14H25N3O3/c1-5-17-14(10-11(18)15-17)6-8-16(9-7-14)12(19)20-13(2,3)4/h5-10H2,1-4H3,(H,15,18)
InChIKeyQKVYWKLMYXILIV-UHFFFAOYSA-N
XLogP1.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-ethyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 1-ethyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate (CID 122539474) is tert-butyl 1-ethyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 1-ethyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 1-ethyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate is CCN1NC(=O)CC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 1-ethyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate?
The InChIKey is QKVYWKLMYXILIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-5-17-14(10-11(18)15-17)6-8-16(9-7-14)12(19)20-13(2,3)4/h5-10H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl 1-ethyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate?
tert-butyl 1-ethyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-ethyl-3-oxo-1,2,8-triazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 122539474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).