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(2S,5R)-methyl 5-phenylpyrrolidine-2-carboxylate

CAS No.:
153242-44-5
Catalog Number:
AG01DJBT
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
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Product Description
Catalog Number:
AG01DJBT
Chemical Name:
(2S,5R)-methyl 5-phenylpyrrolidine-2-carboxylate
CAS Number:
153242-44-5
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
methyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate
InChI:
InChI=1S/C12H15NO2/c1-15-12(14)11-8-7-10(13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11+/m1/s1
InChI Key:
PLTYXWQEMLQCPO-MNOVXSKESA-N
SMILES:
COC(=O)[C@@H]1CC[C@@H](N1)c1ccccc1
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Asymmetric synthesis of substituted prolines from delta-amino beta-ketoesters. Methyl (2S,5R)-(+)-5-phenylpyrrolidine-2-carboxylate. Organic letters 20020502
Properties