1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid

C14H20BrNO3 — CID 106979370

IUPAC1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(C)c1ccc(Br)o1
InChIInChI=1S/C14H20BrNO3/c1-3-7-14(13(17)18)8-4-9-16(14)10(2)11-5-6-12(15)19-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyZQHUWYASVCBVSB-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.82
Rot. Bonds5

About 1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid

1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106979370) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106979370
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(C)c1ccc(Br)o1
InChIInChI=1S/C14H20BrNO3/c1-3-7-14(13(17)18)8-4-9-16(14)10(2)11-5-6-12(15)19-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyZQHUWYASVCBVSB-UHFFFAOYSA-N
XLogP3.82
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-bromothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979384
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979397
1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979306
1-(1-amino-1-oxopropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978795
1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978794
1-(1-cyanoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978796
2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387
1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107971738
2-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080564
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978854
1-(2-bromo-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977105

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106979370) is 1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(C)c1ccc(Br)o1.
What is the InChIKey of 1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is ZQHUWYASVCBVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-3-7-14(13(17)18)8-4-9-16(14)10(2)11-5-6-12(15)19-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 330.22 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromofuran-2-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106979370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).