(3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid

C9H10BrNO3 — CID 129494056

IUPAC(3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H]1c1ccc(Br)o1
InChIInChI=1S/C9H10BrNO3/c10-8-2-1-7(14-8)5-3-11-4-6(5)9(12)13/h1-2,5-6,11H,3-4H2,(H,12,13)/t5-,6-/m0/s1
InChIKeyWFJFAHYPSPUJNT-WDSKDSINSA-N
MW260.09 g/mol
LogP1.43
Rot. Bonds2

About (3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid

(3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 129494056) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is (3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID129494056
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name(3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H]1c1ccc(Br)o1
InChIInChI=1S/C9H10BrNO3/c10-8-2-1-7(14-8)5-3-11-4-6(5)9(12)13/h1-2,5-6,11H,3-4H2,(H,12,13)/t5-,6-/m0/s1
InChIKeyWFJFAHYPSPUJNT-WDSKDSINSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid (CID 129494056) is (3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CNC[C@@H]1c1ccc(Br)o1.
What is the InChIKey of (3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is WFJFAHYPSPUJNT-WDSKDSINSA-N. The full InChI is InChI=1S/C9H10BrNO3/c10-8-2-1-7(14-8)5-3-11-4-6(5)9(12)13/h1-2,5-6,11H,3-4H2,(H,12,13)/t5-,6-/m0/s1.
What are the key properties of (3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid?
(3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 260.09 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(5-bromofuran-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129494056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).