4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid

C9H10BrNO3 — CID 117270119

IUPAC4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(c2ccc(Br)o2)CN1
InChIInChI=1S/C9H10BrNO3/c10-8-2-1-7(14-8)5-3-6(9(12)13)11-4-5/h1-2,5-6,11H,3-4H2,(H,12,13)
InChIKeyUZESEUQPBYJFQY-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.57
Rot. Bonds2

About 4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid

4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 117270119) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID117270119
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(c2ccc(Br)o2)CN1
InChIInChI=1S/C9H10BrNO3/c10-8-2-1-7(14-8)5-3-6(9(12)13)11-4-5/h1-2,5-6,11H,3-4H2,(H,12,13)
InChIKeyUZESEUQPBYJFQY-UHFFFAOYSA-N
XLogP1.57
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid (CID 117270119) is 4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(c2ccc(Br)o2)CN1.
What is the InChIKey of 4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is UZESEUQPBYJFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c10-8-2-1-7(14-8)5-3-6(9(12)13)11-4-5/h1-2,5-6,11H,3-4H2,(H,12,13).
What are the key properties of 4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid?
4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 260.09 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromofuran-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 117270119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).