Home Carboxys Trans-5-Benzyl 1-Tert-Butyl 3-Oxotetrahydro-2H-Spiro[Piperidine-4,1-Pyrrolo[3,4-C]Pyrrole]-1,5(3H)-Dicarboxylate

Trans-5-Benzyl 1-Tert-Butyl 3-Oxotetrahydro-2H-Spiro[Piperidine-4,1-Pyrrolo[3,4-C]Pyrrole]-1,5(3H)-Dicarboxylate

CAS No.:
1951442-13-9
Catalog Number:
AG00I3B2
Molecular Formula:
C23H31N3O5
Molecular Weight:
429.5093
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Product Description
Catalog Number:
AG00I3B2
Chemical Name:
Trans-5-Benzyl 1-Tert-Butyl 3-Oxotetrahydro-2H-Spiro[Piperidine-4,1-Pyrrolo[3,4-C]Pyrrole]-1,5(3H)-Dicarboxylate
CAS Number:
1951442-13-9
Molecular Formula:
C23H31N3O5
Molecular Weight:
429.5093
IUPAC Name:
5-O-benzyl 1-O'-tert-butyl (3aR,6aR)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1',5-dicarboxylate
InChI:
InChI=1S/C23H31N3O5/c1-22(2,3)31-21(29)25-11-9-23(10-12-25)18-14-26(13-17(18)19(27)24-23)20(28)30-15-16-7-5-4-6-8-16/h4-8,17-18H,9-15H2,1-3H3,(H,24,27)/t17-,18-/m0/s1
InChI Key:
VPQJFZDAFOZYOG-ROUUACIJSA-N
SMILES:
O=C1NC2([C@@H]3[C@@H]1CN(C3)C(=O)OCc1ccccc1)CCN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
705  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
429.226g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
429.517g/mol
Monoisotopic Mass:
429.226g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties