ethyl 2-ethoxy-2-methyliminoacetate

C7H13NO3 — CID 163878750

IUPACethyl 2-ethoxy-2-methyliminoacetate
SMILESCCOC(=O)/C(=N/C)OCC
InChIInChI=1S/C7H13NO3/c1-4-10-6(8-3)7(9)11-5-2/h4-5H2,1-3H3/b8-6-
InChIKeyPRGDXRJPRFORCZ-VURMDHGXSA-N
MW159.19 g/mol
LogP0.61
Rot. Bonds2

About ethyl 2-ethoxy-2-methyliminoacetate

ethyl 2-ethoxy-2-methyliminoacetate (PubChem CID 163878750) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is ethyl 2-ethoxy-2-methyliminoacetate.

Molecular Properties

Compound Nameethyl 2-ethoxy-2-methyliminoacetate
PubChem CID163878750
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Nameethyl 2-ethoxy-2-methyliminoacetate
SMILESCCOC(=O)/C(=N/C)OCC
InChIInChI=1S/C7H13NO3/c1-4-10-6(8-3)7(9)11-5-2/h4-5H2,1-3H3/b8-6-
InChIKeyPRGDXRJPRFORCZ-VURMDHGXSA-N
XLogP0.61
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.61
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'}

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Related Compounds

diethyl 2-methyliminopropanedioate
CID 86205419
CID 159370772
CID 159370772
ethyl 2-oxo(213C)propanoate
CID 71309469
ethyl 2-iodo-2-oxoacetate
CID 13205341
diethyl oxalate;ethyl acetate
CID 160900883
ethyl (1,2-13C2)butanoate
CID 157463359
potassium 2-ethoxy-2-oxoacetate
CID 23678856
CID 159689459
CID 159689459
ethyl butanoate
CID 7762
ethyl 2-hydroxyiminopropanoate
CID 6399798
ethyl (2E)-2-amino-2-hydroxyiminoacetate
CID 6411350
ethyl 2-oxopropanoate;nitrous acid
CID 174912891

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-2-methyliminoacetate?
The IUPAC name of ethyl 2-ethoxy-2-methyliminoacetate (CID 163878750) is ethyl 2-ethoxy-2-methyliminoacetate.
What is the SMILES notation for ethyl 2-ethoxy-2-methyliminoacetate?
The canonical SMILES for ethyl 2-ethoxy-2-methyliminoacetate is CCOC(=O)/C(=N/C)OCC.
What is the InChIKey of ethyl 2-ethoxy-2-methyliminoacetate?
The InChIKey is PRGDXRJPRFORCZ-VURMDHGXSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-10-6(8-3)7(9)11-5-2/h4-5H2,1-3H3/b8-6-.
What are the key properties of ethyl 2-ethoxy-2-methyliminoacetate?
ethyl 2-ethoxy-2-methyliminoacetate has a molecular weight of 159.19 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-2-methyliminoacetate is sourced from PubChem (CID 163878750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).