CAS 183673-70-3|tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate|2,4-Dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester|tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]d...

General Information

Structure

Molecular Formula

C₁₂H₁₉N₃O₄

Molecular Mass

269.29696

Exact Mass

269.1375561

Charge

InChI

InChI=1S/C12H19N3O4/c1-11(2,3)19-10(18)15-6-4-12(5-7-15)8(16)13-9(17)14-12/h4-7H2,1-3H3,(H2,13,14,16,17)

InChIKey

DHJXKTPWDXJQEK-UHFFFAOYSA-N

Canonic Smiles

O=C(N1CCC2(CC1)NC(=O)NC2=O)OC(C)(C)C

Isomeric Smiles

C12(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NC(=O)N2

Calculated Properties

JChem

Acid pKa

10.180964

H Acceptors

H Donor

LogD (pH = 5.5)

-0.29513103

LogD (pH = 7.4)

-0.29583243

Log P

-0.29512206

Molar Refractivity

66.2374

Polarizability

25.830112

Polar Surface Area

87.74

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

Synonyms

2,4-Dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester1-t-Boc-piperidine-4-spiro-5'-hydantointert-Butyl 2,4-Dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate2,4-Dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylic Acid 1,1-Dimethylethyl Estertert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

IUPAC Traditional name

tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

CAS Number

MDL Number