Home Carboxys 2-Carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester

2-Carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester

CAS No.:
863307-54-4
Catalog Number:
AG004IUX
Molecular Formula:
C11H18N2O5
Molecular Weight:
258.2710
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$150
- +
5g
97%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG004IUX
Chemical Name:
2-Carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester
CAS Number:
863307-54-4
Molecular Formula:
C11H18N2O5
Molecular Weight:
258.2710
MDL Number:
MFCD06656452
IUPAC Name:
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
InChI:
InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-5-4-12-9(16)7(13)6-8(14)15/h7H,4-6H2,1-3H3,(H,12,16)(H,14,15)
InChI Key:
GVTOUAJILWSKTN-UHFFFAOYSA-N
SMILES:
O=C(N1CCNC(=O)C1CC(=O)O)OC(C)(C)C
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.122g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.274g/mol
Monoisotopic Mass:
258.122g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties