Home Carboxys 3-benzyl-1-methyl-2-oxopyrrolidine-3-carboxylic acid

3-benzyl-1-methyl-2-oxopyrrolidine-3-carboxylic acid

CAS No.:
1955541-76-0
Catalog Number:
AG01C5BM
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
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Product Description
Catalog Number:
AG01C5BM
Chemical Name:
3-benzyl-1-methyl-2-oxopyrrolidine-3-carboxylic acid
CAS Number:
1955541-76-0
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD29991364
IUPAC Name:
3-benzyl-1-methyl-2-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H15NO3/c1-14-8-7-13(11(14)15,12(16)17)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,16,17)
InChI Key:
KBCMAFCOTKGLPA-UHFFFAOYSA-N
SMILES:
CN1CCC(C1=O)(Cc1ccccc1)C(=O)O
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties