2-(2-amino-3-iodophenyl)acetic acid

C8H8INO2 — CID 91873765

IUPAC2-(2-amino-3-iodophenyl)acetic acid
SMILESNc1c(I)cccc1CC(=O)O
InChIInChI=1S/C8H8INO2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4,10H2,(H,11,12)
InChIKeyNUKAQZKGWYJCDB-UHFFFAOYSA-N
MW277.06 g/mol
LogP1.50
Rot. Bonds2

About 2-(2-amino-3-iodophenyl)acetic acid

2-(2-amino-3-iodophenyl)acetic acid (PubChem CID 91873765) has the molecular formula C8H8INO2 and a molecular weight of 277.06 g/mol. Its IUPAC name is 2-(2-amino-3-iodophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-3-iodophenyl)acetic acid
PubChem CID91873765
Molecular FormulaC8H8INO2
Molecular Weight277.06 g/mol
Exact Mass276.96
IUPAC Name2-(2-amino-3-iodophenyl)acetic acid
SMILESNc1c(I)cccc1CC(=O)O
InChIInChI=1S/C8H8INO2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4,10H2,(H,11,12)
InChIKeyNUKAQZKGWYJCDB-UHFFFAOYSA-N
XLogP1.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide
CID 172684004
2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide
CID 139707024
2-amino-3-iodobenzamide
CID 67497450
2-[2-amino-3-(2-chlorobenzoyl)phenyl]acetic acid
CID 13408189
potassium 2-(4-amino-3,5-diiodophenyl)acetic acid
CID 54609109
CID 172781001
CID 172781001
CID 172781038
CID 172781038
2-[2-amino-3-[hydroxy(phenyl)methyl]phenyl]acetic acid;hydrate
CID 160922205
3-(2-amino-3-hydroxyphenyl)propanoic acid
CID 131073372
2-(3-amino-2-ethylphenyl)acetic acid
CID 91873822
2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
CID 91115166
2-(2-amino-3,4-dihydroxyphenyl)acetic acid
CID 171338430

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-iodophenyl)acetic acid?
The IUPAC name of 2-(2-amino-3-iodophenyl)acetic acid (CID 91873765) is 2-(2-amino-3-iodophenyl)acetic acid.
What is the SMILES notation for 2-(2-amino-3-iodophenyl)acetic acid?
The canonical SMILES for 2-(2-amino-3-iodophenyl)acetic acid is Nc1c(I)cccc1CC(=O)O.
What is the InChIKey of 2-(2-amino-3-iodophenyl)acetic acid?
The InChIKey is NUKAQZKGWYJCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4,10H2,(H,11,12).
What are the key properties of 2-(2-amino-3-iodophenyl)acetic acid?
2-(2-amino-3-iodophenyl)acetic acid has a molecular weight of 277.06 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-iodophenyl)acetic acid is sourced from PubChem (CID 91873765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).