2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate

C16H27NO5 — CID 170758425

IUPAC2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate
SMILESCCOC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCOCC2
InChIInChI=1S/C16H27NO5/c1-5-21-13(18)12-10-17(14(19)22-15(2,3)4)11-16(12)6-8-20-9-7-16/h12H,5-11H2,1-4H3
InChIKeyHZWGKDIMUURTPL-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.21
Rot. Bonds2

About 2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate

2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate (PubChem CID 170758425) has the molecular formula C16H27NO5 and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate.

Molecular Properties

Compound Name2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate
PubChem CID170758425
Molecular FormulaC16H27NO5
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate
SMILESCCOC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCOCC2
InChIInChI=1S/C16H27NO5/c1-5-21-13(18)12-10-17(14(19)22-15(2,3)4)11-16(12)6-8-20-9-7-16/h12H,5-11H2,1-4H3
InChIKeyHZWGKDIMUURTPL-UHFFFAOYSA-N
XLogP2.21
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate
CID 127264203
7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate
CID 166445109
(4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 97111510
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate
CID 134129326
2-O-tert-butyl 9-O-ethyl 2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate
CID 71305548
2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate
CID 97111372
tert-butyl 5-amino-7-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 71305964
1-O-tert-butyl 3-O,4-O-diethyl (3S)-pyrrolidine-1,3,4-tricarboxylate
CID 91654881
1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane
CID 174806734
1-O-tert-butyl 4-O-ethyl 3,3-difluoropiperidine-1,4-dicarboxylate
CID 122199555
1-O'-tert-butyl 3-O'-ethyl (3'S,4R)-8-methoxyspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-1',3'-dicarboxylate
CID 58549551
1-O-tert-butyl 3-O-ethyl (3R)-5,5-difluoro-4-oxopiperidine-1,3-dicarboxylate
CID 95757497

Frequently Asked Questions

What is the IUPAC name of 2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate?
The IUPAC name of 2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate (CID 170758425) is 2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate.
What is the SMILES notation for 2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate?
The canonical SMILES for 2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate is CCOC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCOCC2.
What is the InChIKey of 2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate?
The InChIKey is HZWGKDIMUURTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO5/c1-5-21-13(18)12-10-17(14(19)22-15(2,3)4)11-16(12)6-8-20-9-7-16/h12H,5-11H2,1-4H3.
What are the key properties of 2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate?
2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate has a molecular weight of 313.39 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate is sourced from PubChem (CID 170758425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).