sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys tert-Butyl 3-(2-ethoxy-2-oxoacetyl)-4-oxopiperidine-1-carboxylate

tert-Butyl 3-(2-ethoxy-2-oxoacetyl)-4-oxopiperidine-1-carboxylate

CAS No.:
518990-24-4
Catalog Number:
AG003Q56
Molecular Formula:
C14H21NO6
Molecular Weight:
299.3196
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$188
- +
5g
97%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG003Q56
Chemical Name:
tert-Butyl 3-(2-ethoxy-2-oxoacetyl)-4-oxopiperidine-1-carboxylate
CAS Number:
518990-24-4
Molecular Formula:
C14H21NO6
Molecular Weight:
299.3196
MDL Number:
MFCD12912641
IUPAC Name:
tert-butyl 3-(2-ethoxy-2-oxoacetyl)-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C14H21NO6/c1-5-20-12(18)11(17)9-8-15(7-6-10(9)16)13(19)21-14(2,3)4/h9H,5-8H2,1-4H3
InChI Key:
RSNKXJXWNHBZEU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)C1CN(CCC1=O)C(=O)OC(C)(C)C
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.137g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.323g/mol
Monoisotopic Mass:
299.137g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
New IDH1 mutant inhibitors for treatment of acute myeloid leukemia. Nature chemical biology 20151101
Properties