Home Carboxys 11-Benzyl-6-oxo-2,7,11-triaza-dispiro[3.0.4.3]dodecane-2-carboxylic acid tert-butyl ester

11-Benzyl-6-oxo-2,7,11-triaza-dispiro[3.0.4.3]dodecane-2-carboxylic acid tert-butyl ester

CAS No.:
1341035-14-0
Catalog Number:
AG00HT6F
Molecular Formula:
C21H29N3O3
Molecular Weight:
371.4733
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Product Description
Catalog Number:
AG00HT6F
Chemical Name:
11-Benzyl-6-oxo-2,7,11-triaza-dispiro[3.0.4.3]dodecane-2-carboxylic acid tert-butyl ester
CAS Number:
1341035-14-0
Molecular Formula:
C21H29N3O3
Molecular Weight:
371.4733
MDL Number:
MFCD21362262
IUPAC Name:
tert-butyl 11-benzyl-6-oxo-2,7,11-triazadispiro[3.0.45.34]dodecane-2-carboxylate
InChI:
InChI=1S/C21H29N3O3/c1-19(2,3)27-18(26)24-13-20(14-24)12-23(11-16-7-5-4-6-8-16)15-21(20)9-10-22-17(21)25/h4-8H,9-15H2,1-3H3,(H,22,25)
InChI Key:
YYTYMYGTGJNQSG-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CN(CC12CCNC1=O)Cc1ccccc1)OC(C)(C)C
Properties
Complexity:
602  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.221g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
371.481g/mol
Monoisotopic Mass:
371.221g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties