Home Carboxys rac-methyl (3R,4S)-1-benzyl-4-(thiophen-3-yl)pyrrolidine-3-carboxylate, trans

rac-methyl (3R,4S)-1-benzyl-4-(thiophen-3-yl)pyrrolidine-3-carboxylate, trans

CAS No.:
2059917-70-1
Catalog Number:
AG01BS0H
Molecular Formula:
C17H19NO2S
Molecular Weight:
301.4033
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Product Description
Catalog Number:
AG01BS0H
Chemical Name:
rac-methyl (3R,4S)-1-benzyl-4-(thiophen-3-yl)pyrrolidine-3-carboxylate, trans
CAS Number:
2059917-70-1
Molecular Formula:
C17H19NO2S
Molecular Weight:
301.4033
MDL Number:
MFCD13190628
IUPAC Name:
methyl (3S,4R)-1-benzyl-4-thiophen-3-ylpyrrolidine-3-carboxylate
InChI:
InChI=1S/C17H19NO2S/c1-20-17(19)16-11-18(9-13-5-3-2-4-6-13)10-15(16)14-7-8-21-12-14/h2-8,12,15-16H,9-11H2,1H3/t15-,16+/m0/s1
InChI Key:
DBXUSEYXIHEMLD-JKSUJKDBSA-N
SMILES:
COC(=O)[C@@H]1CN(C[C@H]1c1ccsc1)Cc1ccccc1
Properties
Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
301.114g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.404g/mol
Monoisotopic Mass:
301.114g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties