4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate

C15H25NO5 — CID 11109342

IUPAC4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate
SMILESCOC(=O)[C@H]1COC2(CCCCC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO5/c1-14(2,3)21-13(18)16-11(12(17)19-4)10-20-15(16)8-6-5-7-9-15/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyBEGXNDNFLIUFLD-LLVKDONJSA-N
MW299.37 g/mol
LogP2.46
Rot. Bonds1

About 4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate

4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate (PubChem CID 11109342) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate.

Molecular Properties

Compound Name4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate
PubChem CID11109342
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate
SMILESCOC(=O)[C@H]1COC2(CCCCC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO5/c1-14(2,3)21-13(18)16-11(12(17)19-4)10-20-15(16)8-6-5-7-9-15/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyBEGXNDNFLIUFLD-LLVKDONJSA-N
XLogP2.46
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate with MolForge

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Related Compounds

tert-butyl (3R)-3-formyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
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2-O-tert-butyl 3-O-methyl (3S)-1-hydroxy-2-azaspiro[4.4]nonane-2,3-dicarboxylate
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5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-6-carboxylic acid
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tert-butyl (4S)-2,2-dimethyl-4-oxaldehydoyl-1,3-oxazolidine-3-carboxylate
CID 10682569
1-O-tert-butyl 2-O-methyl (2S)-5-hydroxypyrrolidine-1,2-dicarboxylate;ethane
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Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate?
The IUPAC name of 4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate (CID 11109342) is 4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate.
What is the SMILES notation for 4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate?
The canonical SMILES for 4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate is COC(=O)[C@H]1COC2(CCCCC2)N1C(=O)OC(C)(C)C.
What is the InChIKey of 4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate?
The InChIKey is BEGXNDNFLIUFLD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25NO5/c1-14(2,3)21-13(18)16-11(12(17)19-4)10-20-15(16)8-6-5-7-9-15/h11H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of 4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate?
4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate has a molecular weight of 299.37 g/mol, XLogP of 2.46, 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 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate is sourced from PubChem (CID 11109342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).