2-hydroxy-3-(2-iodopropylamino)benzoic acid

C10H12INO3 — CID 142085386

IUPAC2-hydroxy-3-(2-iodopropylamino)benzoic acid
SMILESCC(I)CNc1cccc(C(=O)O)c1O
InChIInChI=1S/C10H12INO3/c1-6(11)5-12-8-4-2-3-7(9(8)13)10(14)15/h2-4,6,12-13H,5H2,1H3,(H,14,15)
InChIKeyIRSDVVQMDFRVIK-UHFFFAOYSA-N
MW321.11 g/mol
LogP2.33
Rot. Bonds4

About 2-hydroxy-3-(2-iodopropylamino)benzoic acid

2-hydroxy-3-(2-iodopropylamino)benzoic acid (PubChem CID 142085386) has the molecular formula C10H12INO3 and a molecular weight of 321.11 g/mol. Its IUPAC name is 2-hydroxy-3-(2-iodopropylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-iodopropylamino)benzoic acid
PubChem CID142085386
Molecular FormulaC10H12INO3
Molecular Weight321.11 g/mol
Exact Mass320.99
IUPAC Name2-hydroxy-3-(2-iodopropylamino)benzoic acid
SMILESCC(I)CNc1cccc(C(=O)O)c1O
InChIInChI=1S/C10H12INO3/c1-6(11)5-12-8-4-2-3-7(9(8)13)10(14)15/h2-4,6,12-13H,5H2,1H3,(H,14,15)
InChIKeyIRSDVVQMDFRVIK-UHFFFAOYSA-N
XLogP2.33
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.11
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(butan-2-ylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833436
2-hydroxy-3-(4-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 104833506
3-(2-acetamidopropanoylamino)-2-hydroxybenzoic acid
CID 113458409
methyl 3-(2,3-dihydroxypropylamino)-2-hydroxybenzoate
CID 168597109
2-methyl-3-(2-methylpentylamino)benzoic acid
CID 43737198
3-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 104833778
3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 104832910
3-(2-aminoethylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833565
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
3-amino-2-(2-methylpropylamino)benzoic acid
CID 112577622
3-fluoro-2-(2-methylpropylamino)benzoic acid
CID 62649634
2-hydroxy-3-[[2-hydroxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 113458475

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-iodopropylamino)benzoic acid?
The IUPAC name of 2-hydroxy-3-(2-iodopropylamino)benzoic acid (CID 142085386) is 2-hydroxy-3-(2-iodopropylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-3-(2-iodopropylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-3-(2-iodopropylamino)benzoic acid is CC(I)CNc1cccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-(2-iodopropylamino)benzoic acid?
The InChIKey is IRSDVVQMDFRVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO3/c1-6(11)5-12-8-4-2-3-7(9(8)13)10(14)15/h2-4,6,12-13H,5H2,1H3,(H,14,15).
What are the key properties of 2-hydroxy-3-(2-iodopropylamino)benzoic acid?
2-hydroxy-3-(2-iodopropylamino)benzoic acid has a molecular weight of 321.11 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-iodopropylamino)benzoic acid is sourced from PubChem (CID 142085386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).