7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate

C15H24N2O5 — CID 178200149

IUPAC7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate
SMILESCCOC(=O)C1NC(=O)CC12CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H24N2O5/c1-5-21-12(19)11-15(8-10(18)16-11)6-7-17(9-15)13(20)22-14(2,3)4/h11H,5-9H2,1-4H3,(H,16,18)
InChIKeyYTWUYQFALFADRY-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.07
Rot. Bonds2

About 7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate

7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate (PubChem CID 178200149) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate.

Molecular Properties

Compound Name7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate
PubChem CID178200149
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate
SMILESCCOC(=O)C1NC(=O)CC12CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H24N2O5/c1-5-21-12(19)11-15(8-10(18)16-11)6-7-17(9-15)13(20)22-14(2,3)4/h11H,5-9H2,1-4H3,(H,16,18)
InChIKeyYTWUYQFALFADRY-UHFFFAOYSA-N
XLogP1.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate with MolForge

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Related Compounds

2-O-tert-butyl 5-O-ethyl (5R)-7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate
CID 124518587
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
ethyl 7,7,9,9-tetramethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylate
CID 105360360
1-O-tert-butyl 4-O-ethyl 3,3-difluoropiperidine-1,4-dicarboxylate
CID 122199555
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
2-O,9-O-ditert-butyl 4-O-ethyl 5-oxo-2,9-diazaspiro[5.5]undecane-2,4,9-tricarboxylate
CID 154730255
6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate
CID 127264203
1-O-tert-butyl 3-O-ethyl (3R)-5,5-difluoro-4-oxopiperidine-1,3-dicarboxylate
CID 95757497
tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid
CID 129317695
tert-butyl 5-amino-8-oxo-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 71305890

Frequently Asked Questions

What is the IUPAC name of 7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate?
The IUPAC name of 7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate (CID 178200149) is 7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate.
What is the SMILES notation for 7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate?
The canonical SMILES for 7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate is CCOC(=O)C1NC(=O)CC12CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of 7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate?
The InChIKey is YTWUYQFALFADRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-5-21-12(19)11-15(8-10(18)16-11)6-7-17(9-15)13(20)22-14(2,3)4/h11H,5-9H2,1-4H3,(H,16,18).
What are the key properties of 7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate?
7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate has a molecular weight of 312.37 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate is sourced from PubChem (CID 178200149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).