Home Carboxys (2S,4S)-1-[(tert-butoxy)carbonyl]-4-fluoro-2-methylpyrrolidine-2-carboxylic acid

(2S,4S)-1-[(tert-butoxy)carbonyl]-4-fluoro-2-methylpyrrolidine-2-carboxylic acid

CAS No.:
1645565-08-7
Catalog Number:
AG01EKTE
Molecular Formula:
C11H18FNO4
Molecular Weight:
247.2633
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Product Description
Catalog Number:
AG01EKTE
Chemical Name:
(2S,4S)-1-[(tert-butoxy)carbonyl]-4-fluoro-2-methylpyrrolidine-2-carboxylic acid
CAS Number:
1645565-08-7
Molecular Formula:
C11H18FNO4
Molecular Weight:
247.2633
MDL Number:
MFCD30802860
IUPAC Name:
(2S,4S)-4-fluoro-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H18FNO4/c1-10(2,3)17-9(16)13-6-7(12)5-11(13,4)8(14)15/h7H,5-6H2,1-4H3,(H,14,15)/t7-,11-/m0/s1
InChI Key:
AMYPRFPCITYLTA-CPCISQLKSA-N
SMILES:
F[C@@H]1CN([C@](C1)(C)C(=O)O)C(=O)OC(C)(C)C
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
247.122g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
247.266g/mol
Monoisotopic Mass:
247.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties