Home Carboxys 1-[(tert-butoxy)carbonyl]-4-methyl-5-oxopiperazine-2-carboxylic acid

1-[(tert-butoxy)carbonyl]-4-methyl-5-oxopiperazine-2-carboxylic acid

CAS No.:
1822579-90-7
Catalog Number:
AG01BNCZ
Molecular Formula:
C11H18N2O5
Molecular Weight:
258.2710
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Product Description
Catalog Number:
AG01BNCZ
Chemical Name:
1-[(tert-butoxy)carbonyl]-4-methyl-5-oxopiperazine-2-carboxylic acid
CAS Number:
1822579-90-7
Molecular Formula:
C11H18N2O5
Molecular Weight:
258.2710
MDL Number:
MFCD24533026
IUPAC Name:
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
InChI:
InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-6-8(14)12(4)5-7(13)9(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChI Key:
JCWVJGRONWQGDE-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(C)C(=O)CN1C(=O)OC(C)(C)C
Properties
Complexity:
374  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
258.274g/mol
Monoisotopic Mass:
258.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties