2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid

C16H21NO4 — CID 63379249

IUPAC2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCOc1ccc(C2C(C(=O)O)CC(=O)N2C(C)C)cc1
InChIInChI=1S/C16H21NO4/c1-4-21-12-7-5-11(6-8-12)15-13(16(19)20)9-14(18)17(15)10(2)3/h5-8,10,13,15H,4,9H2,1-3H3,(H,19,20)
InChIKeyVLEBVEZJECTPLS-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.47
Rot. Bonds5

About 2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid

2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 63379249) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID63379249
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCOc1ccc(C2C(C(=O)O)CC(=O)N2C(C)C)cc1
InChIInChI=1S/C16H21NO4/c1-4-21-12-7-5-11(6-8-12)15-13(16(19)20)9-14(18)17(15)10(2)3/h5-8,10,13,15H,4,9H2,1-3H3,(H,19,20)
InChIKeyVLEBVEZJECTPLS-UHFFFAOYSA-N
XLogP2.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 53214378
2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 63379248
2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 63379294
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 114557623
(2S,3S)-2-(3-ethoxyphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95763719
(2R,3R)-2-(4-ethylphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 94769672
1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3244527
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217785
trans-(1S,3S)-3-(4-ethoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 94768881

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid (CID 63379249) is 2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid is CCOc1ccc(C2C(C(=O)O)CC(=O)N2C(C)C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is VLEBVEZJECTPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-4-21-12-7-5-11(6-8-12)15-13(16(19)20)9-14(18)17(15)10(2)3/h5-8,10,13,15H,4,9H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63379249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).