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Home Carboxys 1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid

1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid

CAS No.:
773865-05-7
Catalog Number:
AG005MZV
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
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:
AG005MZV
Chemical Name:
1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
773865-05-7
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD04989713
IUPAC Name:
1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C9H15NO3/c1-9(2,3)10-5-6(8(12)13)4-7(10)11/h6H,4-5H2,1-3H3,(H,12,13)
InChI Key:
VDUOOJKMVVKJKA-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C(=O)C1)C(C)(C)C
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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