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1068-90-2 | Diethyl 2-acetamidomalonate
CAS No: 1068-90-2 Catalog No: AG003PG2 MDL No:MFCD00009146
Product Description
Catalog Number:
AG003PG2
Chemical Name:
Diethyl 2-acetamidomalonate
CAS Number:
1068-90-2
Molecular Formula:
C9H15NO5
Molecular Weight:
217.2191
MDL Number:
MFCD00009146
IUPAC Name:
diethyl 2-acetamidopropanedioate
InChI:
InChI=1S/C9H15NO5/c1-4-14-8(12)7(10-6(3)11)9(13)15-5-2/h7H,4-5H2,1-3H3,(H,10,11)
InChI Key:
ISOLMABRZPQKOV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)NC(=O)C
EC Number:
213-952-9
UNII:
4VDX81E00W
NSC Number:
7645
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.221g/mol
Monoisotopic Mass:
217.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| A new approach to 3-substituted tetrahydro-β-carboline derivative via diethyl acetamidomalonate. | Amino acids 20111001 |
| N-(2-Amino-4,6-dihydroxypyrimidin-5-yl)acetamide dihydrate. | Acta crystallographica. Section E, Structure reports online 20110901 |
| Conformationally constrained histidines in the design of peptidomimetics: strategies for the χ-space control. | International journal of molecular sciences 20110101 |
| Ethyl 1-acetyl-1H-indole-3-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20090801 |
| Effect of surface sealants on marginal microleakage in Class V resin composite restorations. | Journal of esthetic and restorative dentistry : official publication of the American Academy of Esthetic Dentistry ... [et al.] 20090101 |
| Synthesis of the key intermediate, diethyl 2-acetylamino-2-(2-(4-octanoylphenyl)ethyl)propane-1,3-dioate, of the immunomodulatory agent FTY720 (fingolimod). | Chemical & pharmaceutical bulletin 20080401 |
| Indium(III)-catalyzed addition of diethyl acetamidomalonate to terminal alkynes: an efficient approach to beta-branched alpha-amino acids. | The Journal of organic chemistry 20070817 |
| Synthesis of racemic cis-5-hydroxy-3-phthalimidoglutarimide. A metabolite of thalidomide isolated from human plasma. | The Journal of organic chemistry 20051125 |
| Reaction of Pseudomonas fluorescens kynureninase with beta-benzoyl-L-alanine: detection of a new reaction intermediate and a change in rate-determining step. | Biochemistry 20040323 |
| Comparative inhibition by substrate analogues 3-methoxy- and 3-hydroxydesaminokynurenine and an improved 3 step purification of recombinant human kynureninase. | BMC biochemistry 20030101 |
| Preparation and root growth-modulatory activity of N-substituted 2-acetylamino-2-ethoxycarbonyl-3-(2-furyl)propanamides. | Chemical & pharmaceutical bulletin 20010301 |
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