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Home Aminos 4-[Cyclohexyl(methyl)amino]-4-oxobutanoic acid

4-[Cyclohexyl(methyl)amino]-4-oxobutanoic acid

CAS No.:
714278-92-9
Catalog Number:
AG00FDA4
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG00FDA4
Chemical Name:
4-[Cyclohexyl(methyl)amino]-4-oxobutanoic acid
CAS Number:
714278-92-9
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
MDL Number:
MFCD05655689
IUPAC Name:
4-[cyclohexyl(methyl)amino]-4-oxobutanoic acid
InChI:
InChI=1S/C11H19NO3/c1-12(9-5-3-2-4-6-9)10(13)7-8-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChI Key:
FURZLMCFJOLPME-UHFFFAOYSA-N
SMILES:
CN(C(=O)CCC(=O)O)C1CCCCC1
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
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