(2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid

C11H12INO3 — CID 120526942

IUPAC(2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1ccccc1I)C(=O)O
InChIInChI=1S/C11H12INO3/c1-7(11(15)16)13-10(14)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyKNQFZVAQSAHZQW-SSDOTTSWSA-N
MW333.13 g/mol
LogP1.42
Rot. Bonds4

About (2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid

(2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid (PubChem CID 120526942) has the molecular formula C11H12INO3 and a molecular weight of 333.13 g/mol. Its IUPAC name is (2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid
PubChem CID120526942
Molecular FormulaC11H12INO3
Molecular Weight333.13 g/mol
Exact Mass332.99
IUPAC Name(2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1ccccc1I)C(=O)O
InChIInChI=1S/C11H12INO3/c1-7(11(15)16)13-10(14)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyKNQFZVAQSAHZQW-SSDOTTSWSA-N
XLogP1.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-[[2-(2-iodophenyl)acetyl]amino]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

Related Compounds

2-[[2-(2-iodophenyl)acetyl]amino]-4-methylpentanoic acid
CID 120516070
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119225488
2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid
CID 120521179
2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119225812
2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43241188
(2S)-2-[[2-(4-acetylphenyl)acetyl]amino]propanoic acid
CID 119943006
2-amino-N-[(2-iodophenyl)methyl]propanamide
CID 77144463
2-[(3-oxo-3-phenylpropanoyl)amino]propanoic acid
CID 110465900
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 62538173

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid (CID 120526942) is (2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid is C[C@@H](NC(=O)Cc1ccccc1I)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid?
The InChIKey is KNQFZVAQSAHZQW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12INO3/c1-7(11(15)16)13-10(14)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid?
(2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid has a molecular weight of 333.13 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 120526942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).