Ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate

C₁₃H₁₅BrN₂O₂ — CID 115073311

About Ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate

Ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate (PubChem CID 115073311) has the molecular formula C₁₃H₁₅BrN₂O₂ and a molecular weight of 311.18 g/mol. Its IUPAC name is ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate.

Molecular Properties

• Compound Name: Ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate
• PubChem CID: 115073311
• Molecular Formula: C₁₃H₁₅BrN₂O₂
• Molecular Weight: 311.18 g/mol
• Exact Mass: 310.03
• IUPAC Name: ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate
• SMILES: CCOC(=O)C(N)c1cn(C)c2c(Br)cccc12
• InChI: InChI=1S/C13H15BrN2O2/c1-3-18-13(17)11(15)9-7-16(2)12-8(9)5-4-6-10(12)14/h4-7,11H,3,15H2,1-2H3
• InChIKey: HVMRXGVBBQEZKH-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 57.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.18
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate?

The IUPAC name of Ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate (CID 115073311) is ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate.

What is the SMILES notation for Ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate?

The canonical SMILES for Ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate is CCOC(=O)C(N)c1cn(C)c2c(Br)cccc12.

What is the InChIKey of Ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate?

The InChIKey is HVMRXGVBBQEZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-3-18-13(17)11(15)9-7-16(2)12-8(9)5-4-6-10(12)14/h4-7,11H,3,15H2,1-2H3.

What are the key properties of Ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate?

Ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate has a molecular weight of 311.18 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-amino-2-(7-bromo-1-methylindol-3-yl)acetate is sourced from PubChem (CID 115073311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115073311 — identifiers, structure, computed properties (public domain)

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