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

C15H21NO2 — CID 83080387

IUPAC2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(C)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-15(14(17)18)10-7-11-16(15)12(2)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,18)
InChIKeyWZWWLZYHSWWAAR-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.08
Rot. Bonds4

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

2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 83080387) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
PubChem CID83080387
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(C)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-15(14(17)18)10-7-11-16(15)12(2)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,18)
InChIKeyWZWWLZYHSWWAAR-UHFFFAOYSA-N
XLogP3.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[1-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080564
2-ethyl-1-[1-(3-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080388
2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid
CID 83079586
2-(methoxymethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 141285069
1-[1-(2,4-dimethylphenyl)ethyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83080641
2-ethyl-1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidine-2-carboxylic acid
CID 114834843
2-ethyl-1-[1-(4-ethylphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 83065191
1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979306
2-ethyl-1-[1-(1-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
CID 83080824
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
1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83079579

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid (CID 83080387) is 2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(C)c1ccccc1.
What is the InChIKey of 2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WZWWLZYHSWWAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-15(14(17)18)10-7-11-16(15)12(2)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83080387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).