8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate

C17H21NO6 — CID 15123244

IUPAC8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate
SMILESCOC(=O)C1CC2(CCN1C(=O)OCc1ccccc1)OCCO2
InChIInChI=1S/C17H21NO6/c1-21-15(19)14-11-17(23-9-10-24-17)7-8-18(14)16(20)22-12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyJRZCHVMZHVLDPT-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.70
Rot. Bonds3

About 8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate

8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate (PubChem CID 15123244) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is 8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate.

Molecular Properties

Compound Name8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate
PubChem CID15123244
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Name8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate
SMILESCOC(=O)C1CC2(CCN1C(=O)OCc1ccccc1)OCCO2
InChIInChI=1S/C17H21NO6/c1-21-15(19)14-11-17(23-9-10-24-17)7-8-18(14)16(20)22-12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyJRZCHVMZHVLDPT-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate with MolForge

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Related Compounds

2-O-benzyl 3-O-methyl (3S)-6,10-dioxa-2-azaspiro[4.5]decane-2,3-dicarboxylate
CID 58313061
1-O-benzyl 2-O-methyl 4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 21054036
1-O-benzyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 95180475
1-O-benzyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane;2-methylprop-1-ene
CID 143105082
4-O-benzyl 3-O-methyl 1,8-dioxa-4-azaspiro[4.5]decane-3,4-dicarboxylate
CID 67387283
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355
3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate
CID 14630870
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190
1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
(2-methoxycarbonyl-1-phenylmethoxycarbonylpiperidin-4-yl)methylphosphonic acid
CID 54540544
1-O-benzyl 2-O-methyl 4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1,2-dicarboxylate
CID 66568140

Frequently Asked Questions

What is the IUPAC name of 8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate?
The IUPAC name of 8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate (CID 15123244) is 8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate.
What is the SMILES notation for 8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate?
The canonical SMILES for 8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate is COC(=O)C1CC2(CCN1C(=O)OCc1ccccc1)OCCO2.
What is the InChIKey of 8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate?
The InChIKey is JRZCHVMZHVLDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6/c1-21-15(19)14-11-17(23-9-10-24-17)7-8-18(14)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 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate?
8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate has a molecular weight of 335.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-benzyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate is sourced from PubChem (CID 15123244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).