(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'}

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Related Compounds

(3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile
CID 131049044
3-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid
CID 85057067
(3S)-3-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
CID 131052105
(3S)-3-amino-3-(3,5-dihydroxyphenyl)propanoic acid
CID 55273061
3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid
CID 55293779
2-(difluoromethyl)-5-iodopyridine-3-carboxamide
CID 118837602
3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid
CID 84704631
3-amino-3-(5-iodo-2-methylphenyl)propanoic acid
CID 130043623
3-amino-3-(2,5-dihydroxyphenyl)propanoic acid
CID 53417335
(3S)-3-amino-3-(2,4-dihydroxyphenyl)propanoic acid
CID 9152250
3-amino-3-imidazo[1,2-a]pyrazin-8-ylpropanoic acid
CID 84673988
3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid
CID 156612944

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).