Home Carboxys 4-Phenyl-1,3-pyrrolidinedicarboxylic acid 1-(tert-butyl) ester

4-Phenyl-1,3-pyrrolidinedicarboxylic acid 1-(tert-butyl) ester

CAS No.:
939757-89-8
Catalog Number:
AG003D4C
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
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Product Description
Catalog Number:
AG003D4C
Chemical Name:
4-Phenyl-1,3-pyrrolidinedicarboxylic acid 1-(tert-butyl) ester
CAS Number:
939757-89-8
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD01631856
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-9-12(13(10-17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)
InChI Key:
KEWYECRQALNJJM-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C(C1)C(=O)O)c1ccccc1)OC(C)(C)C
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties