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Home Carboxys 3-Pyrrolidinecarboxylic acid, 5-oxo-1-(1-phenylethyl)-

3-Pyrrolidinecarboxylic acid, 5-oxo-1-(1-phenylethyl)-

CAS No.:
96449-93-3
Catalog Number:
AG00IJTC
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
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Product Description
Catalog Number:
AG00IJTC
Chemical Name:
3-Pyrrolidinecarboxylic acid, 5-oxo-1-(1-phenylethyl)-
CAS Number:
96449-93-3
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD02625781
IUPAC Name:
5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H15NO3/c1-9(10-5-3-2-4-6-10)14-8-11(13(16)17)7-12(14)15/h2-6,9,11H,7-8H2,1H3,(H,16,17)
InChI Key:
CFGKWSDAMXTRHE-UHFFFAOYSA-N
SMILES:
CC(N1CC(CC1=O)C(=O)O)c1ccccc1
Properties
Complexity:
310  
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties