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Home Carboxys 1-tert-butyl 2-methyl (2S,4S)-4-(acetylsulfanyl)pyrrolidine-1,2-dicarboxylate

1-tert-butyl 2-methyl (2S,4S)-4-(acetylsulfanyl)pyrrolidine-1,2-dicarboxylate

CAS No.:
211299-16-0
Catalog Number:
AG01EIKU
Molecular Formula:
C13H21NO5S
Molecular Weight:
303.3745
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Product Description
Catalog Number:
AG01EIKU
Chemical Name:
1-tert-butyl 2-methyl (2S,4S)-4-(acetylsulfanyl)pyrrolidine-1,2-dicarboxylate
CAS Number:
211299-16-0
Molecular Formula:
C13H21NO5S
Molecular Weight:
303.3745
MDL Number:
MFCD31615850
IUPAC Name:
1-O-tert-butyl 2-O-methyl (2S,4S)-4-acetylsulfanylpyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C13H21NO5S/c1-8(15)20-9-6-10(11(16)18-5)14(7-9)12(17)19-13(2,3)4/h9-10H,6-7H2,1-5H3/t9-,10-/m0/s1
InChI Key:
ITWZZLDRFDBIQO-UWVGGRQHSA-N
SMILES:
COC(=O)[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)SC(=O)C
Properties
Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
303.114g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.373g/mol
Monoisotopic Mass:
303.114g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties