Home Carboxys (R)-1-(tert-Butoxycarbonyl)-2-(3-(trifluoromethyl)benzyl)pyrrolidine-2-carboxylic acid

(R)-1-(tert-Butoxycarbonyl)-2-(3-(trifluoromethyl)benzyl)pyrrolidine-2-carboxylic acid

CAS No.:
959576-50-2
Catalog Number:
AG00IJLK
Molecular Formula:
C18H22F3NO4
Molecular Weight:
373.3668
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Product Description
Catalog Number:
AG00IJLK
Chemical Name:
(R)-1-(tert-Butoxycarbonyl)-2-(3-(trifluoromethyl)benzyl)pyrrolidine-2-carboxylic acid
CAS Number:
959576-50-2
Molecular Formula:
C18H22F3NO4
Molecular Weight:
373.3668
MDL Number:
MFCD06796798
IUPAC Name:
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C18H22F3NO4/c1-16(2,3)26-15(25)22-9-5-8-17(22,14(23)24)11-12-6-4-7-13(10-12)18(19,20)21/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,23,24)/t17-/m1/s1
InChI Key:
WXGUGSIKOXDJSI-QGZVFWFLSA-N
SMILES:
O=C(N1CCC[C@@]1(Cc1cccc(c1)C(F)(F)F)C(=O)O)OC(C)(C)C
Properties
Complexity:
544  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
373.15g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
373.372g/mol
Monoisotopic Mass:
373.15g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties