tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate

C13H21NO3 — CID 170352267

IUPACtert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate
SMILESCC1CC(=O)C2(C1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H21NO3/c1-9-5-10(15)13(6-9)7-14(8-13)11(16)17-12(2,3)4/h9H,5-8H2,1-4H3
InChIKeyCZDFVEBZCPKNLB-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.22
Rot. Bonds

About tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate

tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 170352267) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate
PubChem CID170352267
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nametert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate
SMILESCC1CC(=O)C2(C1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H21NO3/c1-9-5-10(15)13(6-9)7-14(8-13)11(16)17-12(2,3)4/h9H,5-8H2,1-4H3
InChIKeyCZDFVEBZCPKNLB-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040
tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate
CID 176544846
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (3S)-3-methyl-5-oxopiperidine-1-carboxylate
CID 119081421
tert-butyl 7,9-dimethyl-8-oxo-2-azaspiro[4.5]decane-2-carboxylate
CID 134201957
tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82387927
tert-butyl 1-methyl-7-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 53408539
tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 99114871
tert-butyl 3-amino-3-(trifluoromethyl)azetidine-1-carboxylate
CID 50986404
tert-butyl (6R,7R)-7-hydroxy-6-methyl-2-azaspiro[3.5]nonane-2-carboxylate
CID 170617037

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate (CID 170352267) is tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate is CC1CC(=O)C2(C1)CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate?
The InChIKey is CZDFVEBZCPKNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9-5-10(15)13(6-9)7-14(8-13)11(16)17-12(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate?
tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-methyl-5-oxo-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 170352267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).