methyl 2-(1-methoxyethylideneamino)acetate

C6H11NO3 — CID 10749310

IUPACmethyl 2-(1-methoxyethylideneamino)acetate
SMILESCOC(=O)C/N=C(\C)OC
InChIInChI=1S/C6H11NO3/c1-5(9-2)7-4-6(8)10-3/h4H2,1-3H3/b7-5+
InChIKeyLPKGCXVIQAZEFQ-FNORWQNLSA-N
MW145.16 g/mol
LogP0.22
Rot. Bonds2

About methyl 2-(1-methoxyethylideneamino)acetate

methyl 2-(1-methoxyethylideneamino)acetate (PubChem CID 10749310) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 2-(1-methoxyethylideneamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1-methoxyethylideneamino)acetate
PubChem CID10749310
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 2-(1-methoxyethylideneamino)acetate
SMILESCOC(=O)C/N=C(\C)OC
InChIInChI=1S/C6H11NO3/c1-5(9-2)7-4-6(8)10-3/h4H2,1-3H3/b7-5+
InChIKeyLPKGCXVIQAZEFQ-FNORWQNLSA-N
XLogP0.22
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.22
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'}

Analyze methyl 2-(1-methoxyethylideneamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methoxyethylideneamino)acetate?
The IUPAC name of methyl 2-(1-methoxyethylideneamino)acetate (CID 10749310) is methyl 2-(1-methoxyethylideneamino)acetate.
What is the SMILES notation for methyl 2-(1-methoxyethylideneamino)acetate?
The canonical SMILES for methyl 2-(1-methoxyethylideneamino)acetate is COC(=O)C/N=C(\C)OC.
What is the InChIKey of methyl 2-(1-methoxyethylideneamino)acetate?
The InChIKey is LPKGCXVIQAZEFQ-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(9-2)7-4-6(8)10-3/h4H2,1-3H3/b7-5+.
What are the key properties of methyl 2-(1-methoxyethylideneamino)acetate?
methyl 2-(1-methoxyethylideneamino)acetate has a molecular weight of 145.16 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methoxyethylideneamino)acetate is sourced from PubChem (CID 10749310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).