Home Carboxys 1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid

1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid

CAS No.:
1161602-22-7
Catalog Number:
AG000BRB
Molecular Formula:
C12H12NO4-
Molecular Weight:
234.2280
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$39
- +
1g
97%
1 week
United States
$98
- +
Product Description
Catalog Number:
AG000BRB
Chemical Name:
1-(Phenoxycarbonyl)pyrrolidine-2-carboxylic acid
CAS Number:
1161602-22-7
Molecular Formula:
C12H12NO4-
Molecular Weight:
234.2280
MDL Number:
MFCD01045469
IUPAC Name:
1-phenoxycarbonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H13NO4/c14-11(15)10-7-4-8-13(10)12(16)17-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,14,15)
InChI Key:
OUPMLYISWFZSNV-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CCCN1C(=O)Oc1ccccc1
Properties
Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
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