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Home Carboxys 1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid

1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid

CAS No.:
566154-59-4
Catalog Number:
AG00J5F3
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
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Product Description
Catalog Number:
AG00J5F3
Chemical Name:
1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
566154-59-4
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
MDL Number:
MFCD03834533
IUPAC Name:
1-cycloheptyl-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C12H19NO3/c14-11-7-9(12(15)16)8-13(11)10-5-3-1-2-4-6-10/h9-10H,1-8H2,(H,15,16)
InChI Key:
DSIJZEFRTBQDCQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(=O)N(C1)C1CCCCCC1
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Structure-based discovery of new small molecule inhibitors of low molecular weight protein tyrosine phosphatase. European journal of medicinal chemistry 20070801
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