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2545-40-6 | 2-Acetamidosuccinic acid
CAS No: 2545-40-6 Catalog No: AG003SOQ MDL No:MFCD00063183
Product Description
Catalog Number:
AG003SOQ
Chemical Name:
2-Acetamidosuccinic acid
CAS Number:
2545-40-6
Molecular Formula:
C6H9NO5
Molecular Weight:
175.1394
MDL Number:
MFCD00063183
IUPAC Name:
2-acetamidobutanedioic acid
InChI:
InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)
InChI Key:
OTCCIMWXFLJLIA-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(=O)O)NC(=O)C
EC Number:
219-827-5
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.14g/mol
Monoisotopic Mass:
175.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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