1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate

C14H24N2O4 — CID 21307053

IUPAC1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate
SMILESCOC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)CC1N
InChIInChI=1S/C14H24N2O4/c1-13(2,3)20-12(18)16-6-5-14(16)7-9(10(15)8-14)11(17)19-4/h9-10H,5-8,15H2,1-4H3
InChIKeyBUILRGKFGOMOLF-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.28
Rot. Bonds1

About 1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate

1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate (PubChem CID 21307053) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate
PubChem CID21307053
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate
SMILESCOC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)CC1N
InChIInChI=1S/C14H24N2O4/c1-13(2,3)20-12(18)16-6-5-14(16)7-9(10(15)8-14)11(17)19-4/h9-10H,5-8,15H2,1-4H3
InChIKeyBUILRGKFGOMOLF-UHFFFAOYSA-N
XLogP1.28
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate with MolForge

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Related Compounds

6-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[3.4]octane-7-carboxylic acid
CID 21307005
tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
CID 56962197
tert-butyl 6-amino-1-azaspiro[3.4]octane-1-carboxylate
CID 138112241
tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate
CID 171991625
tert-butyl 6-methylsulfonyloxy-1-azaspiro[3.3]heptane-1-carboxylate
CID 90156265
tert-butyl 6-(aminomethyl)-1-azaspiro[3.5]nonane-1-carboxylate
CID 155892408
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
CID 56962184
tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 134506707
1-O-tert-butyl 3-O-methyl (3S,4R)-4-aminopyrrolidine-1,3-dicarboxylate
CID 58582417
tert-butyl 7-bromo-1-azaspiro[3.5]nonane-1-carboxylate
CID 155894832
1-O-tert-butyl 3-O-methyl 4-aminopiperidine-1,3-dicarboxylate
CID 59216628
1-O-tert-butyl 3-O-methyl (3R)-2,2-dimethylazetidine-1,3-dicarboxylate
CID 155290457

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate (CID 21307053) is 1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate is COC(=O)C1CC2(CCN2C(=O)OC(C)(C)C)CC1N.
What is the InChIKey of 1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate?
The InChIKey is BUILRGKFGOMOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2,3)20-12(18)16-6-5-14(16)7-9(10(15)8-14)11(17)19-4/h9-10H,5-8,15H2,1-4H3.
What are the key properties of 1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate?
1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate has a molecular weight of 284.36 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 7-O-methyl 6-amino-1-azaspiro[3.4]octane-1,7-dicarboxylate is sourced from PubChem (CID 21307053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).