1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

C15H20N2O3 — CID 63032214

IUPAC1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCc1cccc(NC(=O)CN2CCC(C(=O)O)C2)c1
InChIInChI=1S/C15H20N2O3/c1-2-11-4-3-5-13(8-11)16-14(18)10-17-7-6-12(9-17)15(19)20/h3-5,8,12H,2,6-7,9-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyRXAJCSVFWHLVGH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.59
Rot. Bonds5

About 1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63032214) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID63032214
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCCc1cccc(NC(=O)CN2CCC(C(=O)O)C2)c1
InChIInChI=1S/C15H20N2O3/c1-2-11-4-3-5-13(8-11)16-14(18)10-17-7-6-12(9-17)15(19)20/h3-5,8,12H,2,6-7,9-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyRXAJCSVFWHLVGH-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642263
N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide
CID 126817515
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 119926805
N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62656016
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119926804
N-(3-ethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691104
3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324880
1-[[3-(3,3-dimethylbutanoylamino)phenyl]methyl]piperidine-4-carboxylic acid
CID 118521952
1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119905107
1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid
CID 119907077

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 63032214) is 1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is CCc1cccc(NC(=O)CN2CCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RXAJCSVFWHLVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-11-4-3-5-13(8-11)16-14(18)10-17-7-6-12(9-17)15(19)20/h3-5,8,12H,2,6-7,9-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).