ethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate

C8H13NO4 — CID 547205

IUPACethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate
SMILESCCOC(=O)/C=N/CC(=O)OCC
InChIInChI=1S/C8H13NO4/c1-3-12-7(10)5-9-6-8(11)13-4-2/h5H,3-4,6H2,1-2H3/b9-5+
InChIKeyIUQWYPJOBDBSIH-WEVVVXLNSA-N
MW187.19 g/mol
LogP0.18
Rot. Bonds5

About ethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate

ethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate (PubChem CID 547205) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate
PubChem CID547205
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate
SMILESCCOC(=O)/C=N/CC(=O)OCC
InChIInChI=1S/C8H13NO4/c1-3-12-7(10)5-9-6-8(11)13-4-2/h5H,3-4,6H2,1-2H3/b9-5+
InChIKeyIUQWYPJOBDBSIH-WEVVVXLNSA-N
XLogP0.18
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate?
The IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate (CID 547205) is ethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate?
The canonical SMILES for ethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate is CCOC(=O)/C=N/CC(=O)OCC.
What is the InChIKey of ethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate?
The InChIKey is IUQWYPJOBDBSIH-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H13NO4/c1-3-12-7(10)5-9-6-8(11)13-4-2/h5H,3-4,6H2,1-2H3/b9-5+.
What are the key properties of ethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate?
ethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate has a molecular weight of 187.19 g/mol, XLogP of 0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxy-2-oxoethylidene)amino]acetate is sourced from PubChem (CID 547205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).