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116063-93-5 | 2,3-Aziridinedicarboxylic acid
CAS No: 116063-93-5 Catalog No: AG000BJL MDL No:
Product Description
Catalog Number:
AG000BJL
Chemical Name:
2,3-Aziridinedicarboxylic acid
CAS Number:
116063-93-5
Molecular Formula:
C4H5NO4
Molecular Weight:
131.0868
IUPAC Name:
aziridine-2,3-dicarboxylic acid
InChI:
InChI=1S/C4H5NO4/c6-3(7)1-2(5-1)4(8)9/h1-2,5H,(H,6,7)(H,8,9)
InChI Key:
IFCCPDAHQDGHMH-UHFFFAOYSA-N
SMILES:
OC(=O)C1NC1C(=O)O
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.022g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
131.087g/mol
Monoisotopic Mass:
131.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
Literature
| Title | Journal |
|---|---|
| Natural products from the Lithistida: a review of the literature since 2000. | Marine drugs 20111201 |
| Rational design of improved aziridine-based inhibitors of cysteine proteases. | The journal of physical chemistry. B 20090416 |
| Aziridine-2,3-dicarboxylate inhibitors targeting the major cysteine protease of Trypanosoma brucei as lead trypanocidal agents. | Bioorganic & medicinal chemistry letters 20060515 |
| Inhibitors of cysteine proteases. | Current topics in medicinal chemistry 20060101 |
| Synthesis and antiplasmodial activity of a cysteine protease-inhibiting biotinylated aziridine-2,3-dicarboxylate. | Biological chemistry 20040501 |
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