2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C14H24N2O3 — CID 50983601

IUPAC2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)COC(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C14H24N2O3/c1-13(2,3)10-19-12(18)16-6-4-14(5-7-16)8-11(17)15-9-14/h4-10H2,1-3H3,(H,15,17)
InChIKeyONBMJYSPUZOIGA-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.77
Rot. Bonds1

About 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 50983601) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID50983601
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)COC(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C14H24N2O3/c1-13(2,3)10-19-12(18)16-6-4-14(5-7-16)8-11(17)15-9-14/h4-10H2,1-3H3,(H,15,17)
InChIKeyONBMJYSPUZOIGA-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 50983601) is 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)COC(=O)N1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is ONBMJYSPUZOIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)10-19-12(18)16-6-4-14(5-7-16)8-11(17)15-9-14/h4-10H2,1-3H3,(H,15,17).
What are the key properties of 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 50983601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).