Home Carboxys rac-methyl (2R,3R)-1-ethyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylate, trans

rac-methyl (2R,3R)-1-ethyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylate, trans

CAS No.:
1909286-43-6
Catalog Number:
AG01C1HK
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
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Product Description
Catalog Number:
AG01C1HK
Chemical Name:
rac-methyl (2R,3R)-1-ethyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylate, trans
CAS Number:
1909286-43-6
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
MDL Number:
MFCD29049171
IUPAC Name:
methyl (2S,3S)-1-ethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
InChI:
InChI=1S/C13H16N2O3/c1-3-15-11(16)7-10(13(17)18-2)12(15)9-5-4-6-14-8-9/h4-6,8,10,12H,3,7H2,1-2H3/t10-,12+/m0/s1
InChI Key:
GWTKEZDBMCIPCL-CMPLNLGQSA-N
SMILES:
CCN1C(=O)C[C@@H]([C@H]1c1cccnc1)C(=O)OC
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties