2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate

C13H22N2O4 — CID 121207767

IUPAC2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate
SMILESCOC(=O)C1CNCC12CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H22N2O4/c1-12(2,3)19-11(17)15-7-13(8-15)6-14-5-9(13)10(16)18-4/h9,14H,5-8H2,1-4H3
InChIKeyXIPQSKRVVLHMNT-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.62
Rot. Bonds1

About 2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate

2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate (PubChem CID 121207767) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate.

Molecular Properties

Compound Name2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate
PubChem CID121207767
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate
SMILESCOC(=O)C1CNCC12CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H22N2O4/c1-12(2,3)19-11(17)15-7-13(8-15)6-14-5-9(13)10(16)18-4/h9,14H,5-8H2,1-4H3
InChIKeyXIPQSKRVVLHMNT-UHFFFAOYSA-N
XLogP0.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-Dimethylethyl 7-oxo-2,6-diazaspiro(3.4)octane-2-carboxylate
CID 56777107
Tert-butyl 5-oxo-2,6-diazaspiro(3.4)octane-2-carboxylate
CID 71306068
2-[(Tert-butoxy)carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxylic acid
CID 121207766
rac-2-tert-butyl 3a-ethyl (3aR,6aR)-octahydropyrrolo(3,4-c)pyrrole-2,3a-dicarboxylate
CID 129367834
Methyl 3-((((tert-butoxy)carbonyl)amino)methyl)pyrrolidine-3-carboxylate
CID 131844996
rac-methyl (3R,4R)-4-((((tert-butoxy)carbonyl)amino)methyl)pyrrolidine-3-carboxylate hydrochloride
CID 136589522
6-Tert-butyl 8-methyl 2,6-diazaspiro(3.4)octane-6,8-dicarboxylate hydrochloride
CID 166000113
Tert-butyl 1-oxo-2,6-diazaspiro[3.4]octane-6-carboxylate
CID 177787090
2-Tert-butyl 8-ethyl 8-fluoro-2,6-diazaspiro[3.4]octane-2,8-dicarboxylate
CID 146050348
Tert-butyl 8-(fluoromethyl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
CID 71305851
rel-(3aS,6aS)-2-(tert-Butyl) 3a-ethyl tetrahydropyrrolo[3,4-c]pyrrole-2,3a(1H,3H)-dicarboxylate
CID 72218906
rac-methyl (3R,4R)-4-({[(tert-butoxy)carbonyl]amino}methyl)pyrrolidine-3-carboxylate
CID 105532702

Frequently Asked Questions

What is the IUPAC name of 2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate?
The IUPAC name of 2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate (CID 121207767) is 2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate.
What is the SMILES notation for 2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate?
The canonical SMILES for 2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate is COC(=O)C1CNCC12CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of 2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate?
The InChIKey is XIPQSKRVVLHMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-12(2,3)19-11(17)15-7-13(8-15)6-14-5-9(13)10(16)18-4/h9,14H,5-8H2,1-4H3.
What are the key properties of 2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate?
2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate has a molecular weight of 270.33 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-tert-butyl 5-O-methyl 2,7-diazaspiro[3.4]octane-2,5-dicarboxylate is sourced from PubChem (CID 121207767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).