Home Carboxys 1-Acetylpiperidine-3-carboxylic acid

1-Acetylpiperidine-3-carboxylic acid

CAS No.:
2637-76-5
Catalog Number:
AG002SWP
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$94
- +
5g
96%
In Stock USA
United States
$288
- +
10g
96%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG002SWP
Chemical Name:
1-Acetylpiperidine-3-carboxylic acid
CAS Number:
2637-76-5
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD07348751
IUPAC Name:
1-acetylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C8H13NO3/c1-6(10)9-4-2-3-7(5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChI Key:
ODPIDTOGVIDBLN-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)C(=O)C
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
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