2-ethoxyethyl 2-amino-5-iodobenzoate

C11H14INO3 — CID 63111541

IUPAC2-ethoxyethyl 2-amino-5-iodobenzoate
SMILESCCOCCOC(=O)c1cc(I)ccc1N
InChIInChI=1S/C11H14INO3/c1-2-15-5-6-16-11(14)9-7-8(12)3-4-10(9)13/h3-4,7H,2,5-6,13H2,1H3
InChIKeyCGDNACAYRGNPEC-UHFFFAOYSA-N
MW335.14 g/mol
LogP2.07
Rot. Bonds5

About 2-ethoxyethyl 2-amino-5-iodobenzoate

2-ethoxyethyl 2-amino-5-iodobenzoate (PubChem CID 63111541) has the molecular formula C11H14INO3 and a molecular weight of 335.14 g/mol. Its IUPAC name is 2-ethoxyethyl 2-amino-5-iodobenzoate.

Molecular Properties

Compound Name2-ethoxyethyl 2-amino-5-iodobenzoate
PubChem CID63111541
Molecular FormulaC11H14INO3
Molecular Weight335.14 g/mol
Exact Mass335.00
IUPAC Name2-ethoxyethyl 2-amino-5-iodobenzoate
SMILESCCOCCOC(=O)c1cc(I)ccc1N
InChIInChI=1S/C11H14INO3/c1-2-15-5-6-16-11(14)9-7-8(12)3-4-10(9)13/h3-4,7H,2,5-6,13H2,1H3
InChIKeyCGDNACAYRGNPEC-UHFFFAOYSA-N
XLogP2.07
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate
CID 112548868
3-(2-methoxyethoxy)propyl 2-amino-5-iodobenzoate
CID 103403140
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
2-phenylethyl 2-amino-5-iodobenzoate
CID 44829093
bis(2-butoxyethyl) 4-iodobenzene-1,2-dicarboxylate
CID 125479234
azane;methyl 2-amino-5-iodobenzoate
CID 122622802
2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate
CID 113427093
cyclopropylmethyl 2-amino-5-iodobenzoate
CID 63111531
ethyl 2-amino-5-(4-iodoanilino)benzoate
CID 63425715
ethyl 2-amino-5-(ethoxymethyl)benzoate
CID 79071040
[3-(2-ethoxyethoxy)-3-oxopropyl] 4-iodobenzoate
CID 125468929
2-ethoxyethyl 2-bromo-4-fluorobenzoate
CID 78832548

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-amino-5-iodobenzoate?
The IUPAC name of 2-ethoxyethyl 2-amino-5-iodobenzoate (CID 63111541) is 2-ethoxyethyl 2-amino-5-iodobenzoate.
What is the SMILES notation for 2-ethoxyethyl 2-amino-5-iodobenzoate?
The canonical SMILES for 2-ethoxyethyl 2-amino-5-iodobenzoate is CCOCCOC(=O)c1cc(I)ccc1N.
What is the InChIKey of 2-ethoxyethyl 2-amino-5-iodobenzoate?
The InChIKey is CGDNACAYRGNPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO3/c1-2-15-5-6-16-11(14)9-7-8(12)3-4-10(9)13/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of 2-ethoxyethyl 2-amino-5-iodobenzoate?
2-ethoxyethyl 2-amino-5-iodobenzoate has a molecular weight of 335.14 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-amino-5-iodobenzoate is sourced from PubChem (CID 63111541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).