(2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid

C15H11I4NO4 — CID 57350377

IUPAC(2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid
SMILESN[C@H](Cc1cc(I)c(O)c(I)c1-c1cc(I)c(O)c(I)c1)C(=O)O
InChIInChI=1S/C15H11I4NO4/c16-7-1-5(2-8(17)13(7)21)11-6(4-10(20)15(23)24)3-9(18)14(22)12(11)19/h1-3,10,21-22H,4,20H2,(H,23,24)/t10-/m1/s1
InChIKeyMWZBJIJHVLONSE-SNVBAGLBSA-N
MW776.87 g/mol
LogP4.14
Rot. Bonds4

About (2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid

(2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid (PubChem CID 57350377) has the molecular formula C15H11I4NO4 and a molecular weight of 776.87 g/mol. Its IUPAC name is (2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid
PubChem CID57350377
Molecular FormulaC15H11I4NO4
Molecular Weight776.87 g/mol
Exact Mass776.69
IUPAC Name(2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid
SMILESN[C@H](Cc1cc(I)c(O)c(I)c1-c1cc(I)c(O)c(I)c1)C(=O)O
InChIInChI=1S/C15H11I4NO4/c16-7-1-5(2-8(17)13(7)21)11-6(4-10(20)15(23)24)3-9(18)14(22)12(11)19/h1-3,10,21-22H,4,20H2,(H,23,24)/t10-/m1/s1
InChIKeyMWZBJIJHVLONSE-SNVBAGLBSA-N
XLogP4.14
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500776.87
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-[4-hydroxy-3,5-diiodo-2-(3-iodo-4-sulfooxyphenyl)phenyl]propanoic acid
CID 71431799
2-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid
CID 142647558
(2S)-2-amino-3-(4-hydroxy-2,5-diiodophenyl)propanoic acid
CID 69405398
(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)phenyl]propanoic acid
CID 67894139
2-amino-3-(4,5-dihydroxy-2-methylphenyl)propanoic acid
CID 21295204
2-amino-3-(5-chloro-2-hydroxy-3-propan-2-ylphenyl)propanoic acid
CID 117397830
CID 158501732
CID 158501732
disodium;(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid;hydride
CID 173056053
(2S)-2-amino-3-(2,5-dimethyl-1H-pyrrol-3-yl)propanoic acid
CID 57266974
(2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid
CID 152754952
(2R)-2-amino-3-[4-(4-hydroxyphenoxy)-2,3,5-triiodophenyl]propanoic acid
CID 99713909
2-amino-3-(3-bromo-5-ethyl-2-hydroxyphenyl)propanoic acid
CID 117464879

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid (CID 57350377) is (2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid is N[C@H](Cc1cc(I)c(O)c(I)c1-c1cc(I)c(O)c(I)c1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid?
The InChIKey is MWZBJIJHVLONSE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H11I4NO4/c16-7-1-5(2-8(17)13(7)21)11-6(4-10(20)15(23)24)3-9(18)14(22)12(11)19/h1-3,10,21-22H,4,20H2,(H,23,24)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid?
(2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid has a molecular weight of 776.87 g/mol, XLogP of 4.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[4-hydroxy-2-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodophenyl]propanoic acid is sourced from PubChem (CID 57350377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).