2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide

C10H10I2O4 — CID 172684004

IUPAC2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide
SMILESI.O=C(O)Cc1cccc(I)c1CC(=O)O
InChIInChI=1S/C10H9IO4.HI/c11-8-3-1-2-6(4-9(12)13)7(8)5-10(14)15;/h1-3H,4-5H2,(H,12,13)(H,14,15);1H
InChIKeyAUCOBJUECSKRHH-UHFFFAOYSA-N
MW447.99 g/mol
LogP2.16
Rot. Bonds4

About 2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide

2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide (PubChem CID 172684004) has the molecular formula C10H10I2O4 and a molecular weight of 447.99 g/mol. Its IUPAC name is 2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide.

Molecular Properties

Compound Name2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide
PubChem CID172684004
Molecular FormulaC10H10I2O4
Molecular Weight447.99 g/mol
Exact Mass447.87
IUPAC Name2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide
SMILESI.O=C(O)Cc1cccc(I)c1CC(=O)O
InChIInChI=1S/C10H9IO4.HI/c11-8-3-1-2-6(4-9(12)13)7(8)5-10(14)15;/h1-3H,4-5H2,(H,12,13)(H,14,15);1H
InChIKeyAUCOBJUECSKRHH-UHFFFAOYSA-N
XLogP2.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2,3-bis(carboxymethyl)-4-iodophenyl]acetic acid
CID 67126881
2-(2-amino-3-iodophenyl)acetic acid
CID 91873765
2-[2-(1-chloro-2-oxopropyl)-6-iodophenyl]acetic acid
CID 131265388
2-[(2-iodophenyl)methyl]propanedioic acid
CID 101269560
CID 172781001
CID 172781001
CID 172781038
CID 172781038
(2,6-diiodophenyl)methanamine
CID 165176750
2-ethyl-3-iodobenzoic acid
CID 22121847
2-(3-amino-2-ethylphenyl)acetic acid
CID 91873822
2-(2,6-diphenylphenyl)acetic acid
CID 69422987
2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
CID 62535711
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide?
The IUPAC name of 2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide (CID 172684004) is 2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide.
What is the SMILES notation for 2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide?
The canonical SMILES for 2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide is I.O=C(O)Cc1cccc(I)c1CC(=O)O.
What is the InChIKey of 2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide?
The InChIKey is AUCOBJUECSKRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IO4.HI/c11-8-3-1-2-6(4-9(12)13)7(8)5-10(14)15;/h1-3H,4-5H2,(H,12,13)(H,14,15);1H.
What are the key properties of 2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide?
2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide has a molecular weight of 447.99 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethyl)-3-iodophenyl]acetic acid;hydroiodide is sourced from PubChem (CID 172684004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).