2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid

C18H27NO2 — CID 83065191

IUPAC2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid
SMILESCCc1ccc(C(CC)N2CCCC2(CC)C(=O)O)cc1
InChIInChI=1S/C18H27NO2/c1-4-14-8-10-15(11-9-14)16(5-2)19-13-7-12-18(19,6-3)17(20)21/h8-11,16H,4-7,12-13H2,1-3H3,(H,20,21)
InChIKeyVEFDPCWYTGYRBE-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.03
Rot. Bonds6

About 2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid (PubChem CID 83065191) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid
PubChem CID83065191
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid
SMILESCCc1ccc(C(CC)N2CCCC2(CC)C(=O)O)cc1
InChIInChI=1S/C18H27NO2/c1-4-14-8-10-15(11-9-14)16(5-2)19-13-7-12-18(19,6-3)17(20)21/h8-11,16H,4-7,12-13H2,1-3H3,(H,20,21)
InChIKeyVEFDPCWYTGYRBE-UHFFFAOYSA-N
XLogP4.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080387
2-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080564
2-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid
CID 114834844
2-ethyl-1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-2-carboxylic acid
CID 83062903
2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080388
2-ethyl-1-[1-(1-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080824
1-[1-(4-ethylphenyl)propyl]piperidine-4-carboxylic acid
CID 5196353
1-[1-(2,4-dimethylphenyl)ethyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83080641
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83079579
1-[[4-(dimethylamino)phenyl]methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83080124
1-(4-ethylphenyl)-3-methylpiperidine-3-carboxylic acid
CID 117011718

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid (CID 83065191) is 2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid is CCc1ccc(C(CC)N2CCCC2(CC)C(=O)O)cc1.
What is the InChIKey of 2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VEFDPCWYTGYRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-14-8-10-15(11-9-14)16(5-2)19-13-7-12-18(19,6-3)17(20)21/h8-11,16H,4-7,12-13H2,1-3H3,(H,20,21).
What are the key properties of 2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid has a molecular weight of 289.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83065191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).