4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate

C13H20NO4- — CID 170992407

IUPAC4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)[O-])CC12CC2
InChIInChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-4-9(10(15)16)8-13(14)5-6-13/h9H,4-8H2,1-3H3,(H,15,16)/p-1
InChIKeyFJRLVKNRIFNCIR-UHFFFAOYSA-M
MW254.31 g/mol
LogP0.92
Rot. Bonds1

About 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate

4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate (PubChem CID 170992407) has the molecular formula C13H20NO4- and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate
PubChem CID170992407
Molecular FormulaC13H20NO4-
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)[O-])CC12CC2
InChIInChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-4-9(10(15)16)8-13(14)5-6-13/h9H,4-8H2,1-3H3,(H,15,16)/p-1
InChIKeyFJRLVKNRIFNCIR-UHFFFAOYSA-M
XLogP0.92
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate with MolForge

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Related Compounds

tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate
CID 171991625
tert-butyl 6-amino-1-azaspiro[3.3]heptane-1-carboxylate
CID 56962197
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
CID 56962184
tert-butyl 6-amino-1-azaspiro[3.4]octane-1-carboxylate
CID 138112241
tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162
1-[(2-methylpropan-2-yl)oxycarbonyl]-1-azaspiro[4.4]nonane-3-carboxylic acid
CID 139022581
tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 134506707
tert-butyl 7-bromo-1-azaspiro[3.5]nonane-1-carboxylate
CID 155894832
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-2-carboxylate
CID 134129306
tert-butyl 7-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-4-azaspiro[2.5]octane-4-carboxylate
CID 155277258
tert-butyl 6-(aminomethyl)-1-azaspiro[3.5]nonane-1-carboxylate
CID 155892408
tert-butyl 8-(butan-2-ylamino)-5-azaspiro[3.5]nonane-5-carboxylate
CID 107239216

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate (CID 170992407) is 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)[O-])CC12CC2.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate?
The InChIKey is FJRLVKNRIFNCIR-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-4-9(10(15)16)8-13(14)5-6-13/h9H,4-8H2,1-3H3,(H,15,16)/p-1.
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate?
4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate has a molecular weight of 254.31 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate is sourced from PubChem (CID 170992407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).