tert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate

C11H17NO3 — CID 56962216

IUPACtert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCC2=O)C1
InChIInChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-6-11(7-12)5-4-8(11)13/h4-7H2,1-3H3
InChIKeyHUDZBXKDAQRXNO-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.59
Rot. Bonds

About tert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate

tert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 56962216) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate
PubChem CID56962216
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nametert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCC2=O)C1
InChIInChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-6-11(7-12)5-4-8(11)13/h4-7H2,1-3H3
InChIKeyHUDZBXKDAQRXNO-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate (CID 56962216) is tert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CCC2=O)C1.
What is the InChIKey of tert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate?
The InChIKey is HUDZBXKDAQRXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-6-11(7-12)5-4-8(11)13/h4-7H2,1-3H3.
What are the key properties of tert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate?
tert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 56962216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).