methyl 3-ethoxy-3-iminopropanoate

C6H11NO3 — CID 14066263

IUPACmethyl 3-ethoxy-3-iminopropanoate
SMILES[H]/N=C(/CC(=O)OC)OCC
InChIInChI=1S/C6H11NO3/c1-3-10-5(7)4-6(8)9-2/h7H,3-4H2,1-2H3/b7-5-
InChIKeyUCPCAXFIBSYQMS-ALCCZGGFSA-N
MW145.16 g/mol
LogP0.56
Rot. Bonds3

About methyl 3-ethoxy-3-iminopropanoate

methyl 3-ethoxy-3-iminopropanoate (PubChem CID 14066263) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 3-ethoxy-3-iminopropanoate.

Molecular Properties

Compound Namemethyl 3-ethoxy-3-iminopropanoate
PubChem CID14066263
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 3-ethoxy-3-iminopropanoate
SMILES[H]/N=C(/CC(=O)OC)OCC
InChIInChI=1S/C6H11NO3/c1-3-10-5(7)4-6(8)9-2/h7H,3-4H2,1-2H3/b7-5-
InChIKeyUCPCAXFIBSYQMS-ALCCZGGFSA-N
XLogP0.56
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethoxy-3-iminopropanoate?
The IUPAC name of methyl 3-ethoxy-3-iminopropanoate (CID 14066263) is methyl 3-ethoxy-3-iminopropanoate.
What is the SMILES notation for methyl 3-ethoxy-3-iminopropanoate?
The canonical SMILES for methyl 3-ethoxy-3-iminopropanoate is [H]/N=C(/CC(=O)OC)OCC.
What is the InChIKey of methyl 3-ethoxy-3-iminopropanoate?
The InChIKey is UCPCAXFIBSYQMS-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-10-5(7)4-6(8)9-2/h7H,3-4H2,1-2H3/b7-5-.
What are the key properties of methyl 3-ethoxy-3-iminopropanoate?
methyl 3-ethoxy-3-iminopropanoate has a molecular weight of 145.16 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethoxy-3-iminopropanoate is sourced from PubChem (CID 14066263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).