2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid

C9H9I2NO3 — CID 142647558

IUPAC2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid
SMILESNC(Cc1cc(I)cc(I)c1O)C(=O)O
InChIInChI=1S/C9H9I2NO3/c10-5-1-4(2-7(12)9(14)15)8(13)6(11)3-5/h1,3,7,13H,2,12H2,(H,14,15)
InChIKeyTVRVXPKYIHFLGT-UHFFFAOYSA-N
MW432.98 g/mol
LogP1.56
Rot. Bonds3

About 2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid

2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid (PubChem CID 142647558) has the molecular formula C9H9I2NO3 and a molecular weight of 432.98 g/mol. Its IUPAC name is 2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid
PubChem CID142647558
Molecular FormulaC9H9I2NO3
Molecular Weight432.98 g/mol
Exact Mass432.87
IUPAC Name2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid
SMILESNC(Cc1cc(I)cc(I)c1O)C(=O)O
InChIInChI=1S/C9H9I2NO3/c10-5-1-4(2-7(12)9(14)15)8(13)6(11)3-5/h1,3,7,13H,2,12H2,(H,14,15)
InChIKeyTVRVXPKYIHFLGT-UHFFFAOYSA-N
XLogP1.56
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.98
LogP ≤ 51.56
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

2-(2-aminobutyl)-4,6-diiodophenol
CID 131060638
(E)-2,3-bis[(2-hydroxy-3,5-diiodophenyl)methyl]but-2-enedioic acid
CID 67824936
(2S)-2-amino-3-(4-hydroxy-2,5-diiodophenyl)propanoic acid
CID 69405398
(2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid
CID 57350377
2-amino-3-(5-iodo-2-methylphenyl)propanoic acid
CID 130041752
(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid
CID 130612428
(2S)-2-amino-3-(2,3,5-tribromophenyl)propanoic acid
CID 131862569
(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)phenyl]propanoic acid
CID 67894139
2-amino-3-[2,5-dihydroxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117416529
2-amino-3-(5-bromo-2,3-difluoro-4-hydroxyphenyl)propanoic acid;hydrochloride
CID 136574243
2-amino-3-(3-bromo-5-ethyl-2-hydroxyphenyl)propanoic acid
CID 117464879
3-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid
CID 85057067

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid (CID 142647558) is 2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid is NC(Cc1cc(I)cc(I)c1O)C(=O)O.
What is the InChIKey of 2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid?
The InChIKey is TVRVXPKYIHFLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9I2NO3/c10-5-1-4(2-7(12)9(14)15)8(13)6(11)3-5/h1,3,7,13H,2,12H2,(H,14,15).
What are the key properties of 2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid?
2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid has a molecular weight of 432.98 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid is sourced from PubChem (CID 142647558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).