2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid

C16H23NO2 — CID 65067851

IUPAC2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid
SMILESCCc1ccc(C(C)N2CCCC2CC(=O)O)cc1
InChIInChI=1S/C16H23NO2/c1-3-13-6-8-14(9-7-13)12(2)17-10-4-5-15(17)11-16(18)19/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyAEIGJJNCRRVLMK-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.25
Rot. Bonds5

About 2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid

2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid (PubChem CID 65067851) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid
PubChem CID65067851
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid
SMILESCCc1ccc(C(C)N2CCCC2CC(=O)O)cc1
InChIInChI=1S/C16H23NO2/c1-3-13-6-8-14(9-7-13)12(2)17-10-4-5-15(17)11-16(18)19/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyAEIGJJNCRRVLMK-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid
CID 65063084
2-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]acetic acid
CID 65062930
2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65068061
1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546242
2-[1-[1-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65067867
2-[1-[1-(3-cyanophenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65067951
2-[1-[1-(4-chlorophenyl)propyl]pyrrolidin-2-yl]acetic acid
CID 65068211
2-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370725
2-[1-[1-(4-methoxyphenyl)propyl]pyrrolidin-2-yl]acetic acid
CID 65068370
2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 106900464
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79083753

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid (CID 65067851) is 2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid is CCc1ccc(C(C)N2CCCC2CC(=O)O)cc1.
What is the InChIKey of 2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is AEIGJJNCRRVLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-13-6-8-14(9-7-13)12(2)17-10-4-5-15(17)11-16(18)19/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid?
2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 65067851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).