Home Carboxys Methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

Methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

CAS No.:
64320-92-9
Catalog Number:
AG00EAI4
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$100
- +
5g
97%
In Stock USA
United States
$300
- +
10g
97%
In Stock USA
United States
$450
- +
25g
97%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG00EAI4
Chemical Name:
Methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CAS Number:
64320-92-9
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD00490623
IUPAC Name:
methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
InChI:
InChI=1S/C12H13NO3/c1-16-12(15)9-7-11(14)13(8-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChI Key:
OIAHHVOKOCPNJP-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(C(=O)C1)c1ccccc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
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