Home Carboxys 1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:
953807-08-4
Catalog Number:
AG00IJ0J
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
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Product Description
Catalog Number:
AG00IJ0J
Chemical Name:
1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
953807-08-4
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD06375935
IUPAC Name:
1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C13H21NO3/c1-8-4-3-5-11(9(8)2)14-7-10(13(16)17)6-12(14)15/h8-11H,3-7H2,1-2H3,(H,16,17)
InChI Key:
DFUFTEQOJINPSJ-UHFFFAOYSA-N
SMILES:
CC1CCCC(C1C)N1CC(CC1=O)C(=O)O
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.152g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.315g/mol
Monoisotopic Mass:
239.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties