tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate

C12H19NO3 — CID 131407351

IUPACtert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)CC2(CC2)C1
InChIInChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-7-9(14)6-12(8-13)4-5-12/h4-8H2,1-3H3
InChIKeyNJOCEAANVCIAFD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.98
Rot. Bonds

About tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate

tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate (PubChem CID 131407351) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate
PubChem CID131407351
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nametert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)CC2(CC2)C1
InChIInChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-7-9(14)6-12(8-13)4-5-12/h4-8H2,1-3H3
InChIKeyNJOCEAANVCIAFD-UHFFFAOYSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate;spiro[3.3]heptan-2-one;2,2,2-trifluoroacetaldehyde
CID 165071041
tert-butyl 3,5-dioxopiperidine-1-carboxylate;hydrochloride
CID 170354095
tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate
CID 11390503
tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82387927
tert-butyl 6-methylidene-5-azaspiro[2.4]heptane-5-carboxylate
CID 147010560
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
CID 176582761
CID 176582761
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
tert-butyl (3S)-3-methyl-5-oxopiperidine-1-carboxylate
CID 119081421
tert-butyl 2-acetyl-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939645

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate?
The IUPAC name of tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate (CID 131407351) is tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate.
What is the SMILES notation for tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate?
The canonical SMILES for tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate is CC(C)(C)OC(=O)N1CC(=O)CC2(CC2)C1.
What is the InChIKey of tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate?
The InChIKey is NJOCEAANVCIAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-7-9(14)6-12(8-13)4-5-12/h4-8H2,1-3H3.
What are the key properties of tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate?
tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.98, 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-5-azaspiro[2.5]octane-5-carboxylate is sourced from PubChem (CID 131407351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).