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Home Carboxys 5-Oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid

5-Oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid

CAS No.:
304859-15-2
Catalog Number:
AG0030AR
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG0030AR
Chemical Name:
5-Oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid
CAS Number:
304859-15-2
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD06589808
IUPAC Name:
5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H12N2O3/c14-10-5-9(11(15)16)7-13(10)6-8-1-3-12-4-2-8/h1-4,9H,5-7H2,(H,15,16)
InChI Key:
BCJSOSLBUXFEGE-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C(=O)C1)Cc1ccncc1
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
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