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Details

Stereochemistry ACHIRAL
Molecular Formula C9H15NO5
Molecular Weight 217.2191
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIETHYL (N-ACETYLAMINO)MALONATE

SMILES

CCOC(=O)C(NC(C)=O)C(=O)OCC

InChI

InChIKey=ISOLMABRZPQKOV-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Molecular Formula C9H15NO5
Molecular Weight 217.2191
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Preparation and root growth-modulatory activity of N-substituted 2-acetylamino-2-ethoxycarbonyl-3-(2-furyl)propanamides.
2001 Mar
Comparative inhibition by substrate analogues 3-methoxy- and 3-hydroxydesaminokynurenine and an improved 3 step purification of recombinant human kynureninase.
2003 Sep 24
Reaction of Pseudomonas fluorescens kynureninase with beta-benzoyl-L-alanine: detection of a new reaction intermediate and a change in rate-determining step.
2004 Mar 23
Synthesis of the key intermediate, diethyl 2-acetylamino-2-(2-(4-octanoylphenyl)ethyl)propane-1,3-dioate, of the immunomodulatory agent FTY720 (fingolimod).
2008 Apr
Effect of surface sealants on marginal microleakage in Class V resin composite restorations.
2009
Ethyl 1-acetyl-1H-indole-3-carboxyl-ate.
2009 Jul 8
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:01:13 GMT 2023
Edited
by admin
on Fri Dec 15 19:01:13 GMT 2023
Record UNII
4VDX81E00W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIETHYL (N-ACETYLAMINO)MALONATE
Systematic Name English
DIETHYL ACETAMIDOMALONATE
Systematic Name English
DIETHYL ACETAMIDOMALONIC ACID
Systematic Name English
(ACETYLAMINO)PROPANEDIOIC ACID DIETHYL ESTER
Systematic Name English
ETHYL ACETAMIDOMALONATE
Systematic Name English
NSC-7645
Code English
PROPANEDIOIC ACID, 2-(ACETYLAMINO)-, 1,3-DIETHYL ESTER
Common Name English
MALONIC ACID, ACETAMIDO-, DIETHYL ESTER
Common Name English
DIETHYL ACETYLAMINOMALONATE
Systematic Name English
ACETAMIDOMALONIC ACID DIETHYL ESTER [HSDB]
Common Name English
DIETHYL 2-ACETAMIDOMALONATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID6061446
Created by admin on Fri Dec 15 19:01:13 GMT 2023 , Edited by admin on Fri Dec 15 19:01:13 GMT 2023
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NSC
7645
Created by admin on Fri Dec 15 19:01:13 GMT 2023 , Edited by admin on Fri Dec 15 19:01:13 GMT 2023
PRIMARY
CAS
1068-90-2
Created by admin on Fri Dec 15 19:01:13 GMT 2023 , Edited by admin on Fri Dec 15 19:01:13 GMT 2023
PRIMARY
ECHA (EC/EINECS)
213-952-9
Created by admin on Fri Dec 15 19:01:13 GMT 2023 , Edited by admin on Fri Dec 15 19:01:13 GMT 2023
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PUBCHEM
14041
Created by admin on Fri Dec 15 19:01:13 GMT 2023 , Edited by admin on Fri Dec 15 19:01:13 GMT 2023
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HSDB
2664
Created by admin on Fri Dec 15 19:01:13 GMT 2023 , Edited by admin on Fri Dec 15 19:01:13 GMT 2023
PRIMARY
FDA UNII
4VDX81E00W
Created by admin on Fri Dec 15 19:01:13 GMT 2023 , Edited by admin on Fri Dec 15 19:01:13 GMT 2023
PRIMARY