Home Carboxys 1-Benzyl 8-Tert-Butyl 3-Oxo-1,4,8-Triazaspiro[5.5]Undecane-1,8-Dicarboxylate

1-Benzyl 8-Tert-Butyl 3-Oxo-1,4,8-Triazaspiro[5.5]Undecane-1,8-Dicarboxylate

CAS No.:
1160247-12-0
Catalog Number:
AG00HD7G
Molecular Formula:
C21H29N3O5
Molecular Weight:
403.4721
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Product Description
Catalog Number:
AG00HD7G
Chemical Name:
1-Benzyl 8-Tert-Butyl 3-Oxo-1,4,8-Triazaspiro[5.5]Undecane-1,8-Dicarboxylate
CAS Number:
1160247-12-0
Molecular Formula:
C21H29N3O5
Molecular Weight:
403.4721
MDL Number:
MFCD12198548
IUPAC Name:
1-O-benzyl 8-O-tert-butyl 3-oxo-1,4,8-triazaspiro[5.5]undecane-1,8-dicarboxylate
InChI:
InChI=1S/C21H29N3O5/c1-20(2,3)29-18(26)23-11-7-10-21(15-23)14-22-17(25)12-24(21)19(27)28-13-16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3,(H,22,25)
InChI Key:
VGDGHKMQWHZDEQ-UHFFFAOYSA-N
SMILES:
O=C1NCC2(N(C1)C(=O)OCc1ccccc1)CCCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
626  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.211g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
403.479g/mol
Monoisotopic Mass:
403.211g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties