Home Carboxys 1,3-Piperidinedicarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-, 3-methyl 1-(phenylmethyl) ester

1,3-Piperidinedicarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-, 3-methyl 1-(phenylmethyl) ester

CAS No.:
1221819-24-4
Catalog Number:
AG0016WI
Molecular Formula:
C20H28N2O6
Molecular Weight:
392.4461
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Product Description
Catalog Number:
AG0016WI
Chemical Name:
1,3-Piperidinedicarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-, 3-methyl 1-(phenylmethyl) ester
CAS Number:
1221819-24-4
Molecular Formula:
C20H28N2O6
Molecular Weight:
392.4461
MDL Number:
MFCD16039633
IUPAC Name:
1-O-benzyl 3-O-methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1,3-dicarboxylate
InChI:
InChI=1S/C20H28N2O6/c1-20(2,3)28-18(24)21-16-10-15(17(23)26-4)11-22(12-16)19(25)27-13-14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3,(H,21,24)
InChI Key:
BOZPQGHPJKFXML-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(NC(=O)OC(C)(C)C)CN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
553  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.195g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
392.452g/mol
Monoisotopic Mass:
392.195g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties