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16944-60-8 | (S)-3-Isopropylpiperazine-2,5-dione
CAS No: 16944-60-8 Catalog No: AG003CM2 MDL No:MFCD00057333
Product Description
Catalog Number:
AG003CM2
Chemical Name:
(S)-3-Isopropylpiperazine-2,5-dione
CAS Number:
16944-60-8
Molecular Formula:
C7H12N2O2
Molecular Weight:
156.1824
MDL Number:
MFCD00057333
IUPAC Name:
(3S)-3-propan-2-ylpiperazine-2,5-dione
InChI:
InChI=1S/C7H12N2O2/c1-4(2)6-7(11)8-3-5(10)9-6/h4,6H,3H2,1-2H3,(H,8,11)(H,9,10)/t6-/m0/s1
InChI Key:
IULFBTHVPRNQCG-LURJTMIESA-N
SMILES:
O=C1CNC(=O)[C@@H](N1)C(C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
156.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.185g/mol
Monoisotopic Mass:
156.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Linear and cyclic dipeptides with antimalarial activity. | Bioorganic & medicinal chemistry letters 20121201 |
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