2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate

C12H16INO4 — CID 112548868

IUPAC2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate
SMILESCOCCOCCOC(=O)c1cc(I)ccc1N
InChIInChI=1S/C12H16INO4/c1-16-4-5-17-6-7-18-12(15)10-8-9(13)2-3-11(10)14/h2-3,8H,4-7,14H2,1H3
InChIKeyLQIJPRPNMBHIHH-UHFFFAOYSA-N
MW365.17 g/mol
LogP1.69
Rot. Bonds7

About 2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate

2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate (PubChem CID 112548868) has the molecular formula C12H16INO4 and a molecular weight of 365.17 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate
PubChem CID112548868
Molecular FormulaC12H16INO4
Molecular Weight365.17 g/mol
Exact Mass365.01
IUPAC Name2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate
SMILESCOCCOCCOC(=O)c1cc(I)ccc1N
InChIInChI=1S/C12H16INO4/c1-16-4-5-17-6-7-18-12(15)10-8-9(13)2-3-11(10)14/h2-3,8H,4-7,14H2,1H3
InChIKeyLQIJPRPNMBHIHH-UHFFFAOYSA-N
XLogP1.69
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(2-methoxyethoxy)propyl 2-amino-5-iodobenzoate
CID 103403140
2-ethoxyethyl 2-amino-5-iodobenzoate
CID 63111541
2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate
CID 113427093
2-phenylethyl 2-amino-5-iodobenzoate
CID 44829093
azane;methyl 2-amino-5-iodobenzoate
CID 122622802
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-4-bromobenzoate
CID 104562931
bis(2-butoxyethyl) 4-iodobenzene-1,2-dicarboxylate
CID 125479234
bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,5-dibromobenzene-1,4-dicarboxylate
CID 58473536
cyclopropylmethyl 2-amino-5-iodobenzoate
CID 63111531
2-(3-methoxypropoxy)ethyl 5-amino-2,4-dimethylbenzoate
CID 103179344
5-iodo-2-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103408924
2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate
CID 61484696

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate (CID 112548868) is 2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate is COCCOCCOC(=O)c1cc(I)ccc1N.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate?
The InChIKey is LQIJPRPNMBHIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO4/c1-16-4-5-17-6-7-18-12(15)10-8-9(13)2-3-11(10)14/h2-3,8H,4-7,14H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate?
2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate has a molecular weight of 365.17 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate is sourced from PubChem (CID 112548868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).