methyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate

C10H11IN2O2 — CID 170418906

IUPACmethyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate
SMILESC/N=C(\C(=O)OC)c1cc(I)ccc1N
InChIInChI=1S/C10H11IN2O2/c1-13-9(10(14)15-2)7-5-6(11)3-4-8(7)12/h3-5H,12H2,1-2H3/b13-9-
InChIKeyONJLUUJDLZAOAZ-LCYFTJDESA-N
MW318.11 g/mol
LogP1.47
Rot. Bonds2

About methyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate

methyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate (PubChem CID 170418906) has the molecular formula C10H11IN2O2 and a molecular weight of 318.11 g/mol. Its IUPAC name is methyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate
PubChem CID170418906
Molecular FormulaC10H11IN2O2
Molecular Weight318.11 g/mol
Exact Mass317.99
IUPAC Namemethyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate
SMILESC/N=C(\C(=O)OC)c1cc(I)ccc1N
InChIInChI=1S/C10H11IN2O2/c1-13-9(10(14)15-2)7-5-6(11)3-4-8(7)12/h3-5H,12H2,1-2H3/b13-9-
InChIKeyONJLUUJDLZAOAZ-LCYFTJDESA-N
XLogP1.47
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;methyl 2-amino-5-iodobenzoate
CID 122622802
2-amino-5-iodobenzoate
CID 6919461
ethane;methyl 2-(2-amino-5-methylphenyl)-2-ethyliminoacetate
CID 170602664
2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate
CID 112548868
sodium;methyl 2-amino-4-iodobenzoate;hydroxide
CID 172735794
methyl 2-fluoro-5-iodobenzoate
CID 24820379
3-(2-methoxyethoxy)propyl 2-amino-5-iodobenzoate
CID 103403140
2-ethoxyethyl 2-amino-5-iodobenzoate
CID 63111541
1-(2-amino-5-iodophenyl)ethenol
CID 146350054
2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide
CID 115412666
methyl 2-amino-5-(3-iodoanilino)benzoate
CID 63425538
cyclopropylmethyl 2-amino-5-iodobenzoate
CID 63111531

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate?
The IUPAC name of methyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate (CID 170418906) is methyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate.
What is the SMILES notation for methyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate?
The canonical SMILES for methyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate is C/N=C(\C(=O)OC)c1cc(I)ccc1N.
What is the InChIKey of methyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate?
The InChIKey is ONJLUUJDLZAOAZ-LCYFTJDESA-N. The full InChI is InChI=1S/C10H11IN2O2/c1-13-9(10(14)15-2)7-5-6(11)3-4-8(7)12/h3-5H,12H2,1-2H3/b13-9-.
What are the key properties of methyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate?
methyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate has a molecular weight of 318.11 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-5-iodophenyl)-2-methyliminoacetate is sourced from PubChem (CID 170418906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).