CCOC(=O)C(C(=O)OCC)NC(=O)C
CAS: 1068-90-2
Nom: diethyl 2-acetamidopropanedioate
SMILES: CCOC(=O)C(C(=O)OCC)NC(=O)C

Molecular Processing

Molecular formula
C9H15NO5
Molecular weight
217.22
Exact mass
217.095
XLogP
-0.38
TPSA
81.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
15
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
50.87

Supplementary Information

InChIKey: ISOLMABRZPQKOV-UHFFFAOYSA-N
Synonymes
Diethyl acetamidomalonate1068-90-2Diethyl 2-acetamidomalonateDiethyl acetaminomalonateACETAMIDOMALONIC ACID DIETHYL ESTERDiethyl acetylaminomalonatePropanedioic acid, (acetylamino)-, diethyl esterDiethyl (N-acetylamino)malonate(Acetylamino)propanedioic acid diethyl esterMalonic acid, acetamido-, diethyl esterNSC 7645Diethylester kyseliny acetylaminomalonoveHSDB 2664EINECS 213-952-9Propanedioic acid, 2-(acetylamino)-, 1,3-diethyl esterBRN 07838834VDX81E00WAI3-52334NSC-7645Diethylester kyseliny acetylaminomalonove [Czech]DTXSID60614464-04-00-02993 (Beilstein Handbook Reference)ACETAMIDOMALONIC ACID DIETHYL ESTER [HSDB]DIETHYLESTER KYSELINY ACETYLAMINOMALONOVE (CZECH)RefChem:551859Diethyl 2acetamidomalonateDTXCID1033030Malonic acid, acetamido, diethyl esterPropanedioic acid, (acetylamino), diethyl ester213-952-9
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→