1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid

C16H22BrNO2 — CID 4650051

IUPAC1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid
SMILESCCCCC(c1ccc(Br)cc1)N1CCCC1C(=O)O
InChIInChI=1S/C16H22BrNO2/c1-2-3-5-14(12-7-9-13(17)10-8-12)18-11-4-6-15(18)16(19)20/h7-10,14-15H,2-6,11H2,1H3,(H,19,20)
InChIKeyLZTOKQARKUVIHY-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.23
Rot. Bonds6

About 1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid

1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid (PubChem CID 4650051) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid
PubChem CID4650051
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid
SMILESCCCCC(c1ccc(Br)cc1)N1CCCC1C(=O)O
InChIInChI=1S/C16H22BrNO2/c1-2-3-5-14(12-7-9-13(17)10-8-12)18-11-4-6-15(18)16(19)20/h7-10,14-15H,2-6,11H2,1H3,(H,19,20)
InChIKeyLZTOKQARKUVIHY-UHFFFAOYSA-N
XLogP4.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[4-(trifluoromethyl)phenyl]pentyl]piperidine-2-carboxylic acid
CID 3680989
1-(1-thiophen-3-ylpentyl)piperidine-2-carboxylic acid
CID 3971131
1-[1-(5-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid
CID 3350089
1-[1-(3-methyl-2-pyridinyl)pentyl]pyrrolidine-2-carboxylic acid
CID 3595945
1-[1-(2,3,4-trimethoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 3970545
1-[1-(2,3-dichlorophenyl)pentyl]piperidine-2-carboxylic acid
CID 3949304
1-[1-(4-hydroxyphenyl)propyl]piperidine-2-carboxylic acid
CID 65053879
1-[1-(5-chloro-2-methoxyphenyl)pentyl]pyrrolidine-2-carboxylic acid
CID 5027526
1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 55016173
1-[1-(3-phenylmethoxyphenyl)pentyl]piperidine-2-carboxylic acid
CID 4588574
1-[1-(3-methyl-4-pyridinyl)pentyl]piperidine-2-carboxylic acid
CID 4637920
1-[1-(4-fluorophenyl)propyl]azepane-2-carboxylic acid
CID 65069857

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid (CID 4650051) is 1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid is CCCCC(c1ccc(Br)cc1)N1CCCC1C(=O)O.
What is the InChIKey of 1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LZTOKQARKUVIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-2-3-5-14(12-7-9-13(17)10-8-12)18-11-4-6-15(18)16(19)20/h7-10,14-15H,2-6,11H2,1H3,(H,19,20).
What are the key properties of 1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid?
1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid has a molecular weight of 340.26 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)pentyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 4650051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).