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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Related Compounds

(2S,4S)-4-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 54235723
(2R,4S)-4-phenylpyrrolidine-2-carboxylic acid
CID 56845333
(3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid
CID 129494056
4-(3-bromo-2,6-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 138680510
methyl 4-(5-methylfuran-2-yl)pyrrolidine-2-carboxylate
CID 117270124
4-(5-bromofuran-2-yl)-2-methylpiperidine
CID 117258184
(2R,4R)-4-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 173047292
(2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 170164499
4-(5-bromofuran-2-yl)piperidine
CID 67469128
(2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 70546491
(2R,4S)-4-diphenylphosphinothioylpyrrolidine-2-carboxylic acid
CID 10914531
(2S)-4-phenylpyrrolidine-2-carboxamide
CID 171062215

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).