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1-(3-Mercaptopropanoyl)-6-methylpiperidine-2-carboxylic acid

CAS No.:
174909-66-1
Catalog Number:
AG002022
Molecular Formula:
C10H17NO3S
Molecular Weight:
231.3119
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
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Product Description
Catalog Number:
AG002022
Chemical Name:
1-(3-Mercaptopropanoyl)-6-methylpiperidine-2-carboxylic acid
CAS Number:
174909-66-1
Molecular Formula:
C10H17NO3S
Molecular Weight:
231.3119
MDL Number:
MFCD00564081
IUPAC Name:
6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid
InChI:
InChI=1S/C10H17NO3S/c1-7-3-2-4-8(10(13)14)11(7)9(12)5-6-15/h7-8,15H,2-6H2,1H3,(H,13,14)
InChI Key:
UHIOKYGCFGNNCU-UHFFFAOYSA-N
SMILES:
SCCC(=O)N1C(C)CCCC1C(=O)O
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.093g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.31g/mol
Monoisotopic Mass:
231.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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