Home Carboxys 1,2-Pyrrolidinedicarboxylic acid, 3,3-dimethyl-4-oxo-,1-(1,1-dimethylethyl) 2-methyl ester

1,2-Pyrrolidinedicarboxylic acid, 3,3-dimethyl-4-oxo-,1-(1,1-dimethylethyl) 2-methyl ester

CAS No.:
848444-88-2
Catalog Number:
AG00IDGI
Molecular Formula:
C13H21NO5
Molecular Weight:
271.3095
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Product Description
Catalog Number:
AG00IDGI
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 3,3-dimethyl-4-oxo-,1-(1,1-dimethylethyl) 2-methyl ester
CAS Number:
848444-88-2
Molecular Formula:
C13H21NO5
Molecular Weight:
271.3095
MDL Number:
MFCD24470049
IUPAC Name:
1-O-tert-butyl 2-O-methyl 3,3-dimethyl-4-oxopyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C13H21NO5/c1-12(2,3)19-11(17)14-7-8(15)13(4,5)9(14)10(16)18-6/h9H,7H2,1-6H3
InChI Key:
YBHLDAHDAOFWGW-UHFFFAOYSA-N
SMILES:
COC(=O)C1N(CC(=O)C1(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.142g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.313g/mol
Monoisotopic Mass:
271.142g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties