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Home Carboxys (S)-2-benzyl 1-tert-butyl 4-oxopyrrolidine-1,2-dicarboxylate

(S)-2-benzyl 1-tert-butyl 4-oxopyrrolidine-1,2-dicarboxylate

CAS No.:
154456-97-0
Catalog Number:
AG01DJWM
Molecular Formula:
C17H21NO5
Molecular Weight:
319.3523
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Product Description
Catalog Number:
AG01DJWM
Chemical Name:
(S)-2-benzyl 1-tert-butyl 4-oxopyrrolidine-1,2-dicarboxylate
CAS Number:
154456-97-0
Molecular Formula:
C17H21NO5
Molecular Weight:
319.3523
MDL Number:
MFCD08272892
IUPAC Name:
2-O-benzyl 1-O-tert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C17H21NO5/c1-17(2,3)23-16(21)18-10-13(19)9-14(18)15(20)22-11-12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3/t14-/m0/s1
InChI Key:
JBOGNSRGCLEJEM-AWEZNQCLSA-N
SMILES:
O=C1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Properties
Complexity:
462  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
319.142g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.357g/mol
Monoisotopic Mass:
319.142g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Practical synthesis of Boc-protected cis-4-trifluoromethyl and cis-4-difluoromethyl-L- prolines. The Journal of organic chemistry 20021004
Properties