(2S)-2-(methylamino)propanoyl iodide

C₄H₈INO — CID 118312739

About (2S)-2-(methylamino)propanoyl iodide

(2S)-2-(methylamino)propanoyl iodide (PubChem CID 118312739) has the molecular formula C₄H₈INO and a molecular weight of 213.02 g/mol. Its IUPAC name is (2S)-2-(methylamino)propanoyl iodide.

Molecular Properties

• Compound Name: (2S)-2-(methylamino)propanoyl iodide
• PubChem CID: 118312739
• Molecular Formula: C₄H₈INO
• Molecular Weight: 213.02 g/mol
• Exact Mass: 212.97
• IUPAC Name: (2S)-2-(methylamino)propanoyl iodide
• SMILES: CN[C@@H](C)C(=O)I
• InChI: InChI=1S/C4H8INO/c1-3(6-2)4(5)7/h3,6H,1-2H3/t3-/m0/s1
• InChIKey: ZVXLDYGYGCUQLB-VKHMYHEASA-N
• XLogP: 0.56
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	213.02
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)propanoyl iodide?

The IUPAC name of (2S)-2-(methylamino)propanoyl iodide (CID 118312739) is (2S)-2-(methylamino)propanoyl iodide.

What is the SMILES notation for (2S)-2-(methylamino)propanoyl iodide?

The canonical SMILES for (2S)-2-(methylamino)propanoyl iodide is CN[C@@H](C)C(=O)I.

What is the InChIKey of (2S)-2-(methylamino)propanoyl iodide?

The InChIKey is ZVXLDYGYGCUQLB-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8INO/c1-3(6-2)4(5)7/h3,6H,1-2H3/t3-/m0/s1.

What are the key properties of (2S)-2-(methylamino)propanoyl iodide?

(2S)-2-(methylamino)propanoyl iodide has a molecular weight of 213.02 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(methylamino)propanoyl iodide is sourced from PubChem (CID 118312739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118312739 — identifiers, structure, computed properties (public domain)

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