2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid

C8H8INO3 — CID 119011456

IUPAC2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid
SMILESNc1cc(I)ccc1C(O)C(=O)O
InChIInChI=1S/C8H8INO3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,10H2,(H,12,13)
InChIKeyOWFQQMDVEZIKNG-UHFFFAOYSA-N
MW293.06 g/mol
LogP0.99
Rot. Bonds2

About 2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid

2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid (PubChem CID 119011456) has the molecular formula C8H8INO3 and a molecular weight of 293.06 g/mol. Its IUPAC name is 2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid
PubChem CID119011456
Molecular FormulaC8H8INO3
Molecular Weight293.06 g/mol
Exact Mass292.95
IUPAC Name2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid
SMILESNc1cc(I)ccc1C(O)C(=O)O
InChIInChI=1S/C8H8INO3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,10H2,(H,12,13)
InChIKeyOWFQQMDVEZIKNG-UHFFFAOYSA-N
XLogP0.99
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-amino-4-chlorophenyl)-2-hydroxyacetic acid
CID 119022800
2-[2-(2-bromopropanoyl)-4-iodophenyl]-2-hydroxyacetic acid
CID 134657453
2-[2-(3-bromopropyl)-4-iodophenyl]-2-hydroxyacetic acid
CID 118831019
2-[2-amino-4-(3-bromo-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656155
(2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid
CID 130632401
(2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid
CID 66513291
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353
2-(4-iodo-2-methylphenyl)propanoic acid
CID 131284979
2-hydroxy-2-(2-hydroxy-4,5-diiodophenyl)acetic acid
CID 118839559
2-[2-amino-5-(2-cyanoethyl)phenyl]-2-hydroxyacetic acid
CID 119000084
2-hydroxy-2-(2-iodo-4-propanoylphenyl)acetic acid
CID 134657448
2-(4-bromo-2-fluoro-3-iodophenyl)-2-hydroxyacetic acid
CID 171001481

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid (CID 119011456) is 2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid is Nc1cc(I)ccc1C(O)C(=O)O.
What is the InChIKey of 2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid?
The InChIKey is OWFQQMDVEZIKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,10H2,(H,12,13).
What are the key properties of 2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid?
2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid has a molecular weight of 293.06 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 119011456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).