tert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate

C11H15NO5 — CID 11264973

IUPACtert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@]12COC2=O
InChIInChI=1S/C11H15NO5/c1-10(2,3)17-9(15)12-7(13)4-5-11(12)6-16-8(11)14/h4-6H2,1-3H3/t11-/m1/s1
InChIKeyGETMGTXKOWZOHG-LLVKDONJSA-N
MW241.24 g/mol
LogP0.84
Rot. Bonds

About tert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate

tert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate (PubChem CID 11264973) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is tert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate
PubChem CID11264973
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Nametert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@]12COC2=O
InChIInChI=1S/C11H15NO5/c1-10(2,3)17-9(15)12-7(13)4-5-11(12)6-16-8(11)14/h4-6H2,1-3H3/t11-/m1/s1
InChIKeyGETMGTXKOWZOHG-LLVKDONJSA-N
XLogP0.84
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Related Compounds

1,2-Di-tert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 66982058
1-O-tert-butyl 2-O-methyl (2R)-2-(hydroxymethyl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 44603893
1-O-tert-butyl 2-O-methyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 134831942
2-Oxa-5-azaspiro[3.4]octane-5-carboxylic acid, 1,1-dimethyl-3,6-dioxo-, 1,1-dimethylethyl ester
CID 11414525
Methyl (2S)-1-tert-Boc-2,4,4-trimethylpyroglutamate
CID 29983443
1-O-tert-butyl 2-O-methyl 2,4,4-trimethyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 53762425
1-O-tert-butyl 2-O-methyl 2,4-dimethyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 54532697
1-tert-Butyl 2-ethyl 2,4,4-trimethyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 57680548
(S)-1-tert-Butyl 2-methyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 59436404
1-O-tert-butyl 2-O-methyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 68477157
ditert-butyl (2S)-2-methyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 69181072
(R)-N-Boc-2-methylpyroglutamic acid methyl ester
CID 118699359

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate?
The IUPAC name of tert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate (CID 11264973) is tert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for tert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for tert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC[C@]12COC2=O.
What is the InChIKey of tert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate?
The InChIKey is GETMGTXKOWZOHG-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO5/c1-10(2,3)17-9(15)12-7(13)4-5-11(12)6-16-8(11)14/h4-6H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate?
tert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate has a molecular weight of 241.24 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-3,6-dioxo-2-oxa-5-azaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 11264973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).