Home Carboxys rac-(3R,4R)-1-[(tert-butoxy)carbonyl]pyrrolidine-3,4-dicarboxylic acid

rac-(3R,4R)-1-[(tert-butoxy)carbonyl]pyrrolidine-3,4-dicarboxylic acid

CAS No.:
1807916-65-9
Catalog Number:
AG01C39O
Molecular Formula:
C11H17NO6
Molecular Weight:
259.2558
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Product Description
Catalog Number:
AG01C39O
Chemical Name:
rac-(3R,4R)-1-[(tert-butoxy)carbonyl]pyrrolidine-3,4-dicarboxylic acid
CAS Number:
1807916-65-9
Molecular Formula:
C11H17NO6
Molecular Weight:
259.2558
MDL Number:
MFCD15071835
IUPAC Name:
(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3,4-dicarboxylic acid
InChI:
InChI=1S/C11H17NO6/c1-11(2,3)18-10(17)12-4-6(8(13)14)7(5-12)9(15)16/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16)/t6-,7-/m0/s1
InChI Key:
CEWHNBGJGPXFED-BQBZGAKWSA-N
SMILES:
O=C(N1C[C@@H]([C@H](C1)C(=O)O)C(=O)O)OC(C)(C)C
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
259.106g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.258g/mol
Monoisotopic Mass:
259.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties