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

C14H23NO6 — CID 134943585

IUPAC8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate
SMILESCOC(=O)C1CC2(CCN1C(=O)OC(C)(C)C)OCCO2
InChIInChI=1S/C14H23NO6/c1-13(2,3)21-12(17)15-6-5-14(19-7-8-20-14)9-10(15)11(16)18-4/h10H,5-9H2,1-4H3
InChIKeyCKWLTTDYBBZWLH-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.30
Rot. Bonds1

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

8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate (PubChem CID 134943585) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is 8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate.

Molecular Properties

Compound Name8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate
PubChem CID134943585
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate
SMILESCOC(=O)C1CC2(CCN1C(=O)OC(C)(C)C)OCCO2
InChIInChI=1S/C14H23NO6/c1-13(2,3)21-12(17)15-6-5-14(19-7-8-20-14)9-10(15)11(16)18-4/h10H,5-9H2,1-4H3
InChIKeyCKWLTTDYBBZWLH-UHFFFAOYSA-N
XLogP1.30
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(7S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylic acid
CID 97301654
tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 58442877
1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
tert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 69159353
1-O-tert-butyl 2-O-methyl (2R,4R)-4-fluoropiperidine-1,2-dicarboxylate
CID 154803641
1-O-tert-butyl 2-O-methyl 4-methylpiperidine-1,2-dicarboxylate
CID 21032095
1-O-tert-butyl 2-O-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate
CID 172878152
1-O-tert-butyl 2-O-methyl (2S)-4-tert-butylpiperazine-1,2-dicarboxylate
CID 102106555
azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 154966146
1-O,4-O-ditert-butyl 2-O-methyl 1,4-diazepane-1,2,4-tricarboxylate
CID 57362699
4-O-tert-butyl 3-O-methyl (3R)-1,1-dioxo-1,4-thiazinane-3,4-dicarboxylate
CID 97297853

Frequently Asked Questions

What is the IUPAC name of 8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate?
The IUPAC name of 8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate (CID 134943585) is 8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate.
What is the SMILES notation for 8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate?
The canonical SMILES for 8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate is COC(=O)C1CC2(CCN1C(=O)OC(C)(C)C)OCCO2.
What is the InChIKey of 8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate?
The InChIKey is CKWLTTDYBBZWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-13(2,3)21-12(17)15-6-5-14(19-7-8-20-14)9-10(15)11(16)18-4/h10H,5-9H2,1-4H3.
What are the key properties of 8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate?
8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate has a molecular weight of 301.34 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate is sourced from PubChem (CID 134943585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).