2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid

C16H21NO3 — CID 83076112

IUPAC2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)CCc1ccccc1
InChIInChI=1S/C16H21NO3/c1-2-16(15(19)20)11-6-12-17(16)14(18)10-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,19,20)
InChIKeyCCEXBLLXWFPXGL-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.47
Rot. Bonds5

About 2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 83076112) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID83076112
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)CCc1ccccc1
InChIInChI=1S/C16H21NO3/c1-2-16(15(19)20)11-6-12-17(16)14(18)10-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,19,20)
InChIKeyCCEXBLLXWFPXGL-UHFFFAOYSA-N
XLogP2.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(3-thiophen-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83075965
1-(3-aminopropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83071327
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889
1-[2-[2-(aminomethyl)phenyl]acetyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83058477
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
1-(1,3-dihydroisoindole-2-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83063858
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-(3-cyclopentylpropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075961
4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzoic acid
CID 119185565
2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83060774

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid (CID 83076112) is 2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)CCc1ccccc1.
What is the InChIKey of 2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CCEXBLLXWFPXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-16(15(19)20)11-6-12-17(16)14(18)10-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,19,20).
What are the key properties of 2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83076112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).