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Home Carboxys Methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

Methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

CAS No.:
505088-49-3
Catalog Number:
AG006YJ8
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG006YJ8
Chemical Name:
Methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CAS Number:
505088-49-3
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD03576207
IUPAC Name:
methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-12(2,3)11(15)13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3
InChI Key:
CNTNIDHTVUDBAW-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN(CC1)C(=O)C(C)(C)C
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
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