8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate

C17H21NO6 — CID 20598110

IUPAC8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate
SMILESCOC(=O)C1CN(C(=O)OCc2ccccc2)CCC12OCCO2
InChIInChI=1S/C17H21NO6/c1-21-15(19)14-11-18(8-7-17(14)23-9-10-24-17)16(20)22-12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyGJLGQUWLHYGDHK-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.56
Rot. Bonds3

About 8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate

8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate (PubChem CID 20598110) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is 8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate.

Molecular Properties

Compound Name8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate
PubChem CID20598110
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Name8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate
SMILESCOC(=O)C1CN(C(=O)OCc2ccccc2)CCC12OCCO2
InChIInChI=1S/C17H21NO6/c1-21-15(19)14-11-18(8-7-17(14)23-9-10-24-17)16(20)22-12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyGJLGQUWLHYGDHK-UHFFFAOYSA-N
XLogP1.56
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate?
The IUPAC name of 8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate (CID 20598110) is 8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate.
What is the SMILES notation for 8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate?
The canonical SMILES for 8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate is COC(=O)C1CN(C(=O)OCc2ccccc2)CCC12OCCO2.
What is the InChIKey of 8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate?
The InChIKey is GJLGQUWLHYGDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6/c1-21-15(19)14-11-18(8-7-17(14)23-9-10-24-17)16(20)22-12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3.
What are the key properties of 8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate?
8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate has a molecular weight of 335.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-benzyl 6-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-6,8-dicarboxylate is sourced from PubChem (CID 20598110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).