Home Carbonyls 2-[(Pyrrolidin-1-yl)carbonyl]benzoic acid

2-[(Pyrrolidin-1-yl)carbonyl]benzoic acid

CAS No.:
20320-43-8
Catalog Number:
AG0028QO
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$225
- +
5g
98%
In Stock USA
United States
$763
- +
10g
98%
In Stock USA
United States
$1138
- +
Product Description
Catalog Number:
AG0028QO
Chemical Name:
2-[(Pyrrolidin-1-yl)carbonyl]benzoic acid
CAS Number:
20320-43-8
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD01961578
IUPAC Name:
2-(pyrrolidine-1-carbonyl)benzoic acid
InChI:
InChI=1S/C12H13NO3/c14-11(13-7-3-4-8-13)9-5-1-2-6-10(9)12(15)16/h1-2,5-6H,3-4,7-8H2,(H,15,16)
InChI Key:
QCEUWPGTKKABMR-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)N1CCCC1
NSC Number:
175204
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
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