Home Carboxys 1,2-Piperazinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) ester

1,2-Piperazinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) ester

CAS No.:
1246553-28-5
Catalog Number:
AG000MJ4
Molecular Formula:
C10H15N2O5-
Molecular Weight:
243.2365
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Product Description
Catalog Number:
AG000MJ4
Chemical Name:
1,2-Piperazinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) ester
CAS Number:
1246553-28-5
Molecular Formula:
C10H15N2O5-
Molecular Weight:
243.2365
MDL Number:
MFCD10698230
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
InChI:
InChI=1S/C10H16N2O5/c1-10(2,3)17-9(16)12-5-7(13)11-4-6(12)8(14)15/h6H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChI Key:
PYQDNNRESXVUND-UHFFFAOYSA-N
SMILES:
O=C1NCC(N(C1)C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
244.247g/mol
Monoisotopic Mass:
244.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties