Alpha kainic acid

C₁₀H₁₅NO₄ — CID 10255

About Alpha kainic acid

Alpha kainic acid (PubChem CID 10255) has the molecular formula C₁₀H₁₅NO₄ and a molecular weight of 213.23 g/mol. Its IUPAC name is (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: Alpha kainic acid
• PubChem CID: 10255
• Molecular Formula: C₁₀H₁₅NO₄
• Molecular Weight: 213.23 g/mol
• Exact Mass: 213.10
• IUPAC Name: (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
• SMILES: C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
• InChI: InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
• InChIKey: VLSMHEGGTFMBBZ-OOZYFLPDSA-N
• XLogP: 0.33
• TPSA: 86.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	213.23
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Alpha kainic acid?

The IUPAC name of Alpha kainic acid (CID 10255) is (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid.

What is the SMILES notation for Alpha kainic acid?

The canonical SMILES for Alpha kainic acid is C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O.

What is the InChIKey of Alpha kainic acid?

The InChIKey is VLSMHEGGTFMBBZ-OOZYFLPDSA-N. The full InChI is InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1.

What are the key properties of Alpha kainic acid?

Alpha kainic acid has a molecular weight of 213.23 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Alpha kainic acid is sourced from PubChem (CID 10255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10255 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3201 — approved-drug record (CC BY-SA 4.0)

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