(2S)-2-acetamidopropanoyl iodide

C5H8INO2 — CID 126569176

IUPAC(2S)-2-acetamidopropanoyl iodide
SMILESCC(=O)N[C@@H](C)C(=O)I
InChIInChI=1S/C5H8INO2/c1-3(5(6)9)7-4(2)8/h3H,1-2H3,(H,7,8)/t3-/m0/s1
InChIKeyPYFQFPSDYJSQPW-VKHMYHEASA-N
MW241.03 g/mol
LogP0.47
Rot. Bonds2

About (2S)-2-acetamidopropanoyl iodide

(2S)-2-acetamidopropanoyl iodide (PubChem CID 126569176) has the molecular formula C5H8INO2 and a molecular weight of 241.03 g/mol. Its IUPAC name is (2S)-2-acetamidopropanoyl iodide.

Molecular Properties

Compound Name(2S)-2-acetamidopropanoyl iodide
PubChem CID126569176
Molecular FormulaC5H8INO2
Molecular Weight241.03 g/mol
Exact Mass240.96
IUPAC Name(2S)-2-acetamidopropanoyl iodide
SMILESCC(=O)N[C@@H](C)C(=O)I
InChIInChI=1S/C5H8INO2/c1-3(5(6)9)7-4(2)8/h3H,1-2H3,(H,7,8)/t3-/m0/s1
InChIKeyPYFQFPSDYJSQPW-VKHMYHEASA-N
XLogP0.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.03
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-acetamidopropanoyl iodide 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

(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
N-(4-methylpent-1-yn-3-yl)acetamide
CID 123211812
(2S)-2-acetamidopropanoate
CID 6926438
(2S)-2-(methylamino)propanoyl iodide
CID 118312739
(2S)-2-acetamidopropanoate;copper(1+)
CID 175469092
methyl (2R)-2-acetamidopropanoate
CID 6951031
(2R)-2-hydrazinylpropanoyl iodide
CID 165009318
N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide
CID 19164934
(2S)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl iodide
CID 155401923
N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide
CID 45119229
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamidopropanoyl iodide?
The IUPAC name of (2S)-2-acetamidopropanoyl iodide (CID 126569176) is (2S)-2-acetamidopropanoyl iodide.
What is the SMILES notation for (2S)-2-acetamidopropanoyl iodide?
The canonical SMILES for (2S)-2-acetamidopropanoyl iodide is CC(=O)N[C@@H](C)C(=O)I.
What is the InChIKey of (2S)-2-acetamidopropanoyl iodide?
The InChIKey is PYFQFPSDYJSQPW-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8INO2/c1-3(5(6)9)7-4(2)8/h3H,1-2H3,(H,7,8)/t3-/m0/s1.
What are the key properties of (2S)-2-acetamidopropanoyl iodide?
(2S)-2-acetamidopropanoyl iodide has a molecular weight of 241.03 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamidopropanoyl iodide is sourced from PubChem (CID 126569176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).