methyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate

C8H15NO4 — CID 87260120

IUPACmethyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate
SMILESCCO/C(C)=N\OCCC(=O)OC
InChIInChI=1S/C8H15NO4/c1-4-12-7(2)9-13-6-5-8(10)11-3/h4-6H2,1-3H3/b9-7-
InChIKeyJMIQIVYDZYOXJF-CLFYSBASSA-N
MW189.21 g/mol
LogP0.94
Rot. Bonds5

About methyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate

methyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate (PubChem CID 87260120) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate
PubChem CID87260120
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namemethyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate
SMILESCCO/C(C)=N\OCCC(=O)OC
InChIInChI=1S/C8H15NO4/c1-4-12-7(2)9-13-6-5-8(10)11-3/h4-6H2,1-3H3/b9-7-
InChIKeyJMIQIVYDZYOXJF-CLFYSBASSA-N
XLogP0.94
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate?
The IUPAC name of methyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate (CID 87260120) is methyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate.
What is the SMILES notation for methyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate?
The canonical SMILES for methyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate is CCO/C(C)=N\OCCC(=O)OC.
What is the InChIKey of methyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate?
The InChIKey is JMIQIVYDZYOXJF-CLFYSBASSA-N. The full InChI is InChI=1S/C8H15NO4/c1-4-12-7(2)9-13-6-5-8(10)11-3/h4-6H2,1-3H3/b9-7-.
What are the key properties of methyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate?
methyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate has a molecular weight of 189.21 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(Z)-1-ethoxyethylideneamino]oxypropanoate is sourced from PubChem (CID 87260120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).