6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride

C13H23ClN2O4 — CID 166000113

IUPAC6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride
SMILESCOC(=O)C1CN(C(=O)OC(C)(C)C)CC12CNC2.Cl
InChIInChI=1S/C13H22N2O4.ClH/c1-12(2,3)19-11(17)15-5-9(10(16)18-4)13(8-15)6-14-7-13;/h9,14H,5-8H2,1-4H3;1H
InChIKeySYMCKRWCZHSHEL-UHFFFAOYSA-N
MW306.79 g/mol
LogP1.04
Rot. Bonds1

About 6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride

6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride (PubChem CID 166000113) has the molecular formula C13H23ClN2O4 and a molecular weight of 306.79 g/mol. Its IUPAC name is 6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride.

Molecular Properties

Compound Name6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride
PubChem CID166000113
Molecular FormulaC13H23ClN2O4
Molecular Weight306.79 g/mol
Exact Mass306.13
IUPAC Name6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride
SMILESCOC(=O)C1CN(C(=O)OC(C)(C)C)CC12CNC2.Cl
InChIInChI=1S/C13H22N2O4.ClH/c1-12(2,3)19-11(17)15-5-9(10(16)18-4)13(8-15)6-14-7-13;/h9,14H,5-8H2,1-4H3;1H
InChIKeySYMCKRWCZHSHEL-UHFFFAOYSA-N
XLogP1.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride with MolForge

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Related Compounds

2-[(Tert-butoxy)carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxylic acid
CID 121207766
2-Tert-butyl 8-methyl 2,6-diazaspiro[3.4]octane-2,8-dicarboxylate
CID 121207767
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
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
rac-methyl (3R,4R)-4-({[(tert-butoxy)carbonyl]amino}methyl)pyrrolidine-3-carboxylate
CID 105532702
Tert-butyl 5-(ethylcarbamoyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octane-7-carboxylate
CID 122134344
tert-butyl (5S)-5-(ethylcarbamoyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octane-7-carboxylate
CID 125532253
tert-butyl (5R)-5-(ethylcarbamoyl)-5-fluoro-2-oxa-7-azaspiro[3.4]octane-7-carboxylate
CID 125532254
2-(tert-Butyl) 8-methyl (S)-8-fluoro-2,6-diazaspiro[3.4]octane-2,8-dicarboxylate
CID 155895639
2-[(Tert-butoxy)carbonyl]-8-fluoro-2,6-diazaspiro[3.4]octane-8-carboxylic acid
CID 165860542

Frequently Asked Questions

What is the IUPAC name of 6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride?
The IUPAC name of 6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride (CID 166000113) is 6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride.
What is the SMILES notation for 6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride?
The canonical SMILES for 6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride is COC(=O)C1CN(C(=O)OC(C)(C)C)CC12CNC2.Cl.
What is the InChIKey of 6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride?
The InChIKey is SYMCKRWCZHSHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4.ClH/c1-12(2,3)19-11(17)15-5-9(10(16)18-4)13(8-15)6-14-7-13;/h9,14H,5-8H2,1-4H3;1H.
What are the key properties of 6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride?
6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride has a molecular weight of 306.79 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-tert-butyl 8-O-methyl 2,6-diazaspiro[3.4]octane-6,8-dicarboxylate;hydrochloride is sourced from PubChem (CID 166000113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).