Home Carboxys rac-tert-butyl (3R,4S)-3-ethynyl-4-methoxypyrrolidine-1-carboxylate, trans

rac-tert-butyl (3R,4S)-3-ethynyl-4-methoxypyrrolidine-1-carboxylate, trans

CAS No.:
2031242-53-0
Catalog Number:
AG01B7BI
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
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Product Description
Catalog Number:
AG01B7BI
Chemical Name:
rac-tert-butyl (3R,4S)-3-ethynyl-4-methoxypyrrolidine-1-carboxylate, trans
CAS Number:
2031242-53-0
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
MDL Number:
MFCD30347899
IUPAC Name:
tert-butyl (3S,4S)-3-ethynyl-4-methoxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H19NO3/c1-6-9-7-13(8-10(9)15-5)11(14)16-12(2,3)4/h1,9-10H,7-8H2,2-5H3/t9-,10+/m0/s1
InChI Key:
BTOZKYFVHAHDEX-VHSXEESVSA-N
SMILES:
CO[C@@H]1CN(C[C@H]1C#C)C(=O)OC(C)(C)C
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties