Home Carboxys 8-Benzyl 11-tert-butyl 2-oxo-1,8,11-triazaspiro[5.6]dodecane-8,11-dicarboxylate

8-Benzyl 11-tert-butyl 2-oxo-1,8,11-triazaspiro[5.6]dodecane-8,11-dicarboxylate

CAS No.:
1251008-96-4
Catalog Number:
AG00HI0S
Molecular Formula:
C22H31N3O5
Molecular Weight:
417.4986
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$459
- +
250mg
95%
In Stock USA
United States
$765
- +
1g
95%
In Stock USA
United States
$1529
- +
5g
95%
In Stock USA
United States
$4587
- +
Product Description
Catalog Number:
AG00HI0S
Chemical Name:
8-Benzyl 11-tert-butyl 2-oxo-1,8,11-triazaspiro[5.6]dodecane-8,11-dicarboxylate
CAS Number:
1251008-96-4
Molecular Formula:
C22H31N3O5
Molecular Weight:
417.4986
MDL Number:
MFCD14581189
IUPAC Name:
11-O-benzyl 8-O-tert-butyl 2-oxo-1,8,11-triazaspiro[5.6]dodecane-8,11-dicarboxylate
InChI:
InChI=1S/C22H31N3O5/c1-21(2,3)30-20(28)25-13-12-24(15-22(16-25)11-7-10-18(26)23-22)19(27)29-14-17-8-5-4-6-9-17/h4-6,8-9H,7,10-16H2,1-3H3,(H,23,26)
InChI Key:
AKNLGNRIBCQVNG-UHFFFAOYSA-N
SMILES:
O=C1CCCC2(N1)CN(CCN(C2)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Properties
Complexity:
641  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.226g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
417.506g/mol
Monoisotopic Mass:
417.226g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties