6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate

C15H25NO4 — CID 127264203

IUPAC6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate
SMILESCCOC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCC2
InChIInChI=1S/C15H25NO4/c1-5-19-12(17)11-9-16(10-15(11)7-6-8-15)13(18)20-14(2,3)4/h11H,5-10H2,1-4H3
InChIKeyWRNDOFPOBRBTPW-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.59
Rot. Bonds2

About 6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate

6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate (PubChem CID 127264203) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate.

Molecular Properties

Compound Name6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate
PubChem CID127264203
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate
SMILESCCOC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCC2
InChIInChI=1S/C15H25NO4/c1-5-19-12(17)11-9-16(10-15(11)7-6-8-15)13(18)20-14(2,3)4/h11H,5-10H2,1-4H3
InChIKeyWRNDOFPOBRBTPW-UHFFFAOYSA-N
XLogP2.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate
CID 170758425
7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate
CID 166445109
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 4-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 82380941
1-O-tert-butyl 3-O,4-O-diethyl (3S)-pyrrolidine-1,3,4-tricarboxylate
CID 91654881
1-O-tert-butyl 4-O-ethyl 3,3-difluoropiperidine-1,4-dicarboxylate
CID 122199555
tert-butyl 4-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 82379353
(4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 97111510
1-O-tert-butyl 3-O-ethyl (3R)-5,5-difluoro-4-oxopiperidine-1,3-dicarboxylate
CID 95757497
2-O,9-O-ditert-butyl 4-O-ethyl 5-oxo-2,9-diazaspiro[5.5]undecane-2,4,9-tricarboxylate
CID 154730255

Frequently Asked Questions

What is the IUPAC name of 6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate?
The IUPAC name of 6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate (CID 127264203) is 6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate.
What is the SMILES notation for 6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate?
The canonical SMILES for 6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate is CCOC(=O)C1CN(C(=O)OC(C)(C)C)CC12CCC2.
What is the InChIKey of 6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate?
The InChIKey is WRNDOFPOBRBTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-5-19-12(17)11-9-16(10-15(11)7-6-8-15)13(18)20-14(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate?
6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate is sourced from PubChem (CID 127264203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).