ethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate

C7H14N2O3 — CID 91695688

IUPACethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate
SMILESCCOC(=O)CO/N=C/N(C)C
InChIInChI=1S/C7H14N2O3/c1-4-11-7(10)5-12-8-6-9(2)3/h6H,4-5H2,1-3H3/b8-6+
InChIKeyZZTFSUVQAADUOO-SOFGYWHQSA-N
MW174.20 g/mol
LogP0.07
Rot. Bonds5

About ethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate

ethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate (PubChem CID 91695688) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is ethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate
PubChem CID91695688
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Nameethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate
SMILESCCOC(=O)CO/N=C/N(C)C
InChIInChI=1S/C7H14N2O3/c1-4-11-7(10)5-12-8-6-9(2)3/h6H,4-5H2,1-3H3/b8-6+
InChIKeyZZTFSUVQAADUOO-SOFGYWHQSA-N
XLogP0.07
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-chloroethylideneamino)oxyacetate
CID 54264942
ethyl 2-aminoacetate;ethyl 2-(dimethylaminomethylideneamino)acetate
CID 159184038
(2-ethoxy-2-oxoethyl) 2-hydroxyacetate
CID 57037342
bis(2-ethoxy-2-oxoethyl) (Z)-but-2-enedioate
CID 139903578
ethyl 2-[(E)-(2,4-dichlorophenyl)methylideneamino]oxyacetate
CID 173365405
ethyl 2-[(E)-[(E)-4-(4-bromophenyl)but-3-en-2-ylidene]amino]oxyacetate
CID 155811483
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
CID 172843337
CID 172843337
ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate
CID 103484137
ethyl N-(dimethylaminomethylideneamino)carbamate
CID 54558834
calcium;ethyl propanoate;hydride
CID 173132885

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate?
The IUPAC name of ethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate (CID 91695688) is ethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate.
What is the SMILES notation for ethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate?
The canonical SMILES for ethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate is CCOC(=O)CO/N=C/N(C)C.
What is the InChIKey of ethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate?
The InChIKey is ZZTFSUVQAADUOO-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4-11-7(10)5-12-8-6-9(2)3/h6H,4-5H2,1-3H3/b8-6+.
What are the key properties of ethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate?
ethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate has a molecular weight of 174.20 g/mol, XLogP of 0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-dimethylaminomethylideneamino]oxyacetate is sourced from PubChem (CID 91695688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).