2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid

C9H8INO4 — CID 163099748

IUPAC2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cccc(I)c1O
InChIInChI=1S/C9H8INO4/c10-6-3-1-2-5(8(6)14)9(15)11-4-7(12)13/h1-3,14H,4H2,(H,11,15)(H,12,13)
InChIKeyKHQLHBZVYVBLNM-UHFFFAOYSA-N
MW321.07 g/mol
LogP0.81
Rot. Bonds3

About 2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid

2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid (PubChem CID 163099748) has the molecular formula C9H8INO4 and a molecular weight of 321.07 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid
PubChem CID163099748
Molecular FormulaC9H8INO4
Molecular Weight321.07 g/mol
Exact Mass320.95
IUPAC Name2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1cccc(I)c1O
InChIInChI=1S/C9H8INO4/c10-6-3-1-2-5(8(6)14)9(15)11-4-7(12)13/h1-3,14H,4H2,(H,11,15)(H,12,13)
InChIKeyKHQLHBZVYVBLNM-UHFFFAOYSA-N
XLogP0.81
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.07
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-hydroxy-3-iodobenzamide
CID 57086606
2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
CID 106703070
2-[[2-(aminomethyl)benzoyl]amino]acetic acid
CID 57129733
2-[[2-(cyanomethyl)benzoyl]amino]acetic acid
CID 82179055
2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-iodobenzoyl]amino]acetic acid
CID 11419087
2-[[2-(3-hydroxyprop-1-ynyl)benzoyl]amino]acetic acid
CID 169485909
[2-(carboxymethylcarbamoyl)phenyl]-chloromercury
CID 19844498
2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid
CID 10686637
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
3-[(2,3-dihydroxybenzoyl)amino]propanoic acid
CID 114343241
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid (CID 163099748) is 2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid is O=C(O)CNC(=O)c1cccc(I)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid?
The InChIKey is KHQLHBZVYVBLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INO4/c10-6-3-1-2-5(8(6)14)9(15)11-4-7(12)13/h1-3,14H,4H2,(H,11,15)(H,12,13).
What are the key properties of 2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid?
2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid has a molecular weight of 321.07 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-iodobenzoyl)amino]acetic acid is sourced from PubChem (CID 163099748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).