4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate

C14H21NO5 — CID 126650534

IUPAC4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate
SMILESCOC(=O)C1CN(C(=O)OC(C)(C)C)C2(CC2)CC1=O
InChIInChI=1S/C14H21NO5/c1-13(2,3)20-12(18)15-8-9(11(17)19-4)10(16)7-14(15)5-6-14/h9H,5-8H2,1-4H3
InChIKeyNSVVANDYTPHXPK-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.52
Rot. Bonds1

About 4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate

4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate (PubChem CID 126650534) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate.

Molecular Properties

Compound Name4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate
PubChem CID126650534
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate
SMILESCOC(=O)C1CN(C(=O)OC(C)(C)C)C2(CC2)CC1=O
InChIInChI=1S/C14H21NO5/c1-13(2,3)20-12(18)15-8-9(11(17)19-4)10(16)7-14(15)5-6-14/h9H,5-8H2,1-4H3
InChIKeyNSVVANDYTPHXPK-UHFFFAOYSA-N
XLogP1.52
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

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1-O-tert-butyl 3-O-methyl 5-(difluoromethyl)-2-oxopiperidine-1,3-dicarboxylate
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1-O-tert-butyl 2-O-methyl (5R)-5-methyl-3-oxopyrrolidine-1,2-dicarboxylate
CID 70276073
1-O-tert-butyl 3-O-methyl (5R)-2-oxo-5-(trifluoromethyl)piperidine-1,3-dicarboxylate
CID 170408480
1-O-tert-butyl 4-O-methyl (4R)-5-oxoazepane-1,4-dicarboxylate
CID 97032423
1-O-tert-butyl 3-O-methyl (5R)-5-ethyl-2-oxopyrrolidine-1,3-dicarboxylate
CID 170406657
6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid
CID 21307005
1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate
CID 21307053
tert-butyl 8-oxo-1-azaspiro[4.4]nonane-1-carboxylate
CID 135395018
2-O-tert-butyl 7-O-methyl 8-oxo-1,3,4,6,7,8a-hexahydropyrrolo[1,2-a]pyrazine-2,7-dicarboxylate
CID 86680441
7-O-tert-butyl 2-O-methyl (1S,2S,4R)-3-oxo-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate
CID 124583724
7-O-tert-butyl 2-O-methyl (1R,4R)-3-oxo-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate?
The IUPAC name of 4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate (CID 126650534) is 4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate.
What is the SMILES notation for 4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate?
The canonical SMILES for 4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate is COC(=O)C1CN(C(=O)OC(C)(C)C)C2(CC2)CC1=O.
What is the InChIKey of 4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate?
The InChIKey is NSVVANDYTPHXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-13(2,3)20-12(18)15-8-9(11(17)19-4)10(16)7-14(15)5-6-14/h9H,5-8H2,1-4H3.
What are the key properties of 4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate?
4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate has a molecular weight of 283.32 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-tert-butyl 6-O-methyl 7-oxo-4-azaspiro[2.5]octane-4,6-dicarboxylate is sourced from PubChem (CID 126650534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).