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

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

CAS No.:
842958-29-6
Catalog Number:
AG0056O9
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:
AG0056O9
Chemical Name:
5-Oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylic acid
CAS Number:
842958-29-6
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD04989710
IUPAC Name:
5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C11H12N2O3/c14-10-4-9(11(15)16)7-13(10)6-8-2-1-3-12-5-8/h1-3,5,9H,4,6-7H2,(H,15,16)
InChI Key:
DJSGKVZNGKWZRT-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC(=O)N(C1)Cc1cccnc1
Properties
Complexity:
293  
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
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties