methyl 2-(4-methoxyphenyl)iminoacetate

C10H11NO3 — CID 11019710

IUPACmethyl 2-(4-methoxyphenyl)iminoacetate
SMILESCOC(=O)/C=N/c1ccc(OC)cc1
InChIInChI=1S/C10H11NO3/c1-13-9-5-3-8(4-6-9)11-7-10(12)14-2/h3-7H,1-2H3/b11-7+
InChIKeyIKPGUJQINBCXPA-YRNVUSSQSA-N
MW193.20 g/mol
LogP1.57
Rot. Bonds3

About methyl 2-(4-methoxyphenyl)iminoacetate

methyl 2-(4-methoxyphenyl)iminoacetate (PubChem CID 11019710) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)iminoacetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)iminoacetate
PubChem CID11019710
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 2-(4-methoxyphenyl)iminoacetate
SMILESCOC(=O)/C=N/c1ccc(OC)cc1
InChIInChI=1S/C10H11NO3/c1-13-9-5-3-8(4-6-9)11-7-10(12)14-2/h3-7H,1-2H3/b11-7+
InChIKeyIKPGUJQINBCXPA-YRNVUSSQSA-N
XLogP1.57
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(4-methoxyphenyl)iminoacetate 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-(4-methoxyphenyl)iminoacetate?
The IUPAC name of methyl 2-(4-methoxyphenyl)iminoacetate (CID 11019710) is methyl 2-(4-methoxyphenyl)iminoacetate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)iminoacetate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)iminoacetate is COC(=O)/C=N/c1ccc(OC)cc1.
What is the InChIKey of methyl 2-(4-methoxyphenyl)iminoacetate?
The InChIKey is IKPGUJQINBCXPA-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-9-5-3-8(4-6-9)11-7-10(12)14-2/h3-7H,1-2H3/b11-7+.
What are the key properties of methyl 2-(4-methoxyphenyl)iminoacetate?
methyl 2-(4-methoxyphenyl)iminoacetate has a molecular weight of 193.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)iminoacetate is sourced from PubChem (CID 11019710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).