DIETHYL (N-ACETYLAMINO)MALONATE

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	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Indium(III)-catalyzed addition of diethyl acetamidomalonate to terminal alkynes: an efficient approach to beta-branched alpha-amino acids.	2007 Aug 17	17658851
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	18379116
Effect of surface sealants on marginal microleakage in Class V resin composite restorations.	2009	20002927
Ethyl 1-acetyl-1H-indole-3-carboxyl-ate.	2009 Jul 8	21583507

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Substance Class	Chemical
Record UNII	4VDX81E00W
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

NSC-7645

Preferred Name

English

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

Showing 1 to 5 of 11 entries

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Code System

Code

Type

Description

EPA CompTox

DTXSID6061446

PRIMARY

NSC

7645

PRIMARY

CAS

1068-90-2

PRIMARY

ECHA (EC/EINECS)

213-952-9

PRIMARY

PUBCHEM

14041

PRIMARY

Showing 1 to 5 of 7 entries

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SMILES

InChI

Approval Year

PubMed

Patents