(3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid

C8H9IN2O3 — CID 131101628

IUPAC(3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1ncc(I)cc1O
InChIInChI=1S/C8H9IN2O3/c9-4-1-6(12)8(11-3-4)5(10)2-7(13)14/h1,3,5,12H,2,10H2,(H,13,14)/t5-/m1/s1
InChIKeyZDJVTOLBSJHQCU-RXMQYKEDSA-N
MW308.08 g/mol
LogP0.87
Rot. Bonds3

About (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid

(3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid (PubChem CID 131101628) has the molecular formula C8H9IN2O3 and a molecular weight of 308.08 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid
PubChem CID131101628
Molecular FormulaC8H9IN2O3
Molecular Weight308.08 g/mol
Exact Mass307.97
IUPAC Name(3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1ncc(I)cc1O
InChIInChI=1S/C8H9IN2O3/c9-4-1-6(12)8(11-3-4)5(10)2-7(13)14/h1,3,5,12H,2,10H2,(H,13,14)/t5-/m1/s1
InChIKeyZDJVTOLBSJHQCU-RXMQYKEDSA-N
XLogP0.87
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.08
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid (CID 131101628) is (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid is N[C@H](CC(=O)O)c1ncc(I)cc1O.
What is the InChIKey of (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid?
The InChIKey is ZDJVTOLBSJHQCU-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9IN2O3/c9-4-1-6(12)8(11-3-4)5(10)2-7(13)14/h1,3,5,12H,2,10H2,(H,13,14)/t5-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid?
(3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid has a molecular weight of 308.08 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid is sourced from PubChem (CID 131101628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).