Home Carboxys Trans-3-pyrrolidinecarboxylic acid, 4-ethyl-1-(phenylmethyl)-, ethyl ester

Trans-3-pyrrolidinecarboxylic acid, 4-ethyl-1-(phenylmethyl)-, ethyl ester

CAS No.:
201228-21-9
Catalog Number:
AG002DA6
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$280
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Product Description
Catalog Number:
AG002DA6
Chemical Name:
Trans-3-pyrrolidinecarboxylic acid, 4-ethyl-1-(phenylmethyl)-, ethyl ester
CAS Number:
201228-21-9
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
MDL Number:
MFCD13191498
IUPAC Name:
ethyl (3R,4R)-1-benzyl-4-ethylpyrrolidine-3-carboxylate
InChI:
InChI=1S/C16H23NO2/c1-3-14-11-17(10-13-8-6-5-7-9-13)12-15(14)16(18)19-4-2/h5-9,14-15H,3-4,10-12H2,1-2H3/t14-,15-/m0/s1
InChI Key:
SSUNIEBHQGPUCV-GJZGRUSLSA-N
SMILES:
CCOC(=O)[C@H]1CN(C[C@@H]1CC)Cc1ccccc1
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties