2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid

C15H21NO2 — CID 83080889

IUPAC2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-15(14(17)18)10-6-11-16(15)12-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,17,18)
InChIKeyKRUSYIQBQBSIPM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.56
Rot. Bonds5

About 2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 83080889) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
PubChem CID83080889
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1CCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-15(14(17)18)10-6-11-16(15)12-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,17,18)
InChIKeyKRUSYIQBQBSIPM-UHFFFAOYSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
2-ethyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 83080277
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112
1-(2-aminoethyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070850
2-ethyl-1-octylpyrrolidine-2-carboxylic acid
CID 83079650
1-decyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83080199
2-propyl-1-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 106978911
1-(3-aminopropyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83080806
2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid
CID 83079586
(2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride
CID 67817912
1-[[4-(dimethylamino)phenyl]methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83080124
1-[(3-chloro-2-fluorophenyl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 114489125

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid (CID 83080889) is 2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1CCc1ccccc1.
What is the InChIKey of 2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KRUSYIQBQBSIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-15(14(17)18)10-6-11-16(15)12-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,17,18).
What are the key properties of 2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).