2-amino-3-(4-iodophenyl)propanoic acid

C9H10INO2 — CID 5152312

IUPAC2-amino-3-(4-iodophenyl)propanoic acid
SMILESNC(Cc1ccc(I)cc1)C(=O)O
InChIInChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKeyPZNQZSRPDOEBMS-UHFFFAOYSA-N
MW291.09 g/mol
LogP1.25
Rot. Bonds3

About 2-amino-3-(4-iodophenyl)propanoic acid

2-amino-3-(4-iodophenyl)propanoic acid (PubChem CID 5152312) has the molecular formula C9H10INO2 and a molecular weight of 291.09 g/mol. Its IUPAC name is 2-amino-3-(4-iodophenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-iodophenyl)propanoic acid
PubChem CID5152312
Molecular FormulaC9H10INO2
Molecular Weight291.09 g/mol
Exact Mass290.98
IUPAC Name2-amino-3-(4-iodophenyl)propanoic acid
SMILESNC(Cc1ccc(I)cc1)C(=O)O
InChIInChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKeyPZNQZSRPDOEBMS-UHFFFAOYSA-N
XLogP1.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-3-(4-iodophenyl)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 2-amino-3-(4-iodophenyl)propanoic acid?
The IUPAC name of 2-amino-3-(4-iodophenyl)propanoic acid (CID 5152312) is 2-amino-3-(4-iodophenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4-iodophenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(4-iodophenyl)propanoic acid is NC(Cc1ccc(I)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-(4-iodophenyl)propanoic acid?
The InChIKey is PZNQZSRPDOEBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13).
What are the key properties of 2-amino-3-(4-iodophenyl)propanoic acid?
2-amino-3-(4-iodophenyl)propanoic acid has a molecular weight of 291.09 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-iodophenyl)propanoic acid is sourced from PubChem (CID 5152312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).