tert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate

C15H26N2O3 — CID 50878593

IUPACtert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCCN1CCC2(CCCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-5-16-10-8-15(12(16)18)7-6-9-17(11-15)13(19)20-14(2,3)4/h5-11H2,1-4H3
InChIKeyPGHKLVJTCNVROK-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.26
Rot. Bonds1

About tert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate

tert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 50878593) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID50878593
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCCN1CCC2(CCCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-5-16-10-8-15(12(16)18)7-6-9-17(11-15)13(19)20-14(2,3)4/h5-11H2,1-4H3
InChIKeyPGHKLVJTCNVROK-UHFFFAOYSA-N
XLogP2.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate (CID 50878593) is tert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate is CCN1CCC2(CCCN(C(=O)OC(C)(C)C)C2)C1=O.
What is the InChIKey of tert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is PGHKLVJTCNVROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-16-10-8-15(12(16)18)7-6-9-17(11-15)13(19)20-14(2,3)4/h5-11H2,1-4H3.
What are the key properties of tert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 50878593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).