Home Carboxys rac-methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate, trans

rac-methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate, trans

CAS No.:
1627955-76-3
Catalog Number:
AG01BR06
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
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Product Description
Catalog Number:
AG01BR06
Chemical Name:
rac-methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate, trans
CAS Number:
1627955-76-3
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD30530185
IUPAC Name:
methyl (3R,4S)-2-oxo-4-phenylpyrrolidine-3-carboxylate
InChI:
InChI=1S/C12H13NO3/c1-16-12(15)10-9(7-13-11(10)14)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,13,14)/t9-,10-/m1/s1
InChI Key:
BVVGHABCKLTFML-NXEZZACHSA-N
SMILES:
COC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties