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

C16H21NO4 — CID 63379248

IUPAC2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCOc1ccccc1C1C(C(=O)O)CC(=O)N1C(C)C
InChIInChI=1S/C16H21NO4/c1-4-21-13-8-6-5-7-11(13)15-12(16(19)20)9-14(18)17(15)10(2)3/h5-8,10,12,15H,4,9H2,1-3H3,(H,19,20)
InChIKeyLZVBGLDRCVPBGX-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.47
Rot. Bonds5

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

2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 63379248) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID63379248
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCCOc1ccccc1C1C(C(=O)O)CC(=O)N1C(C)C
InChIInChI=1S/C16H21NO4/c1-4-21-13-8-6-5-7-11(13)15-12(16(19)20)9-14(18)17(15)10(2)3/h5-8,10,12,15H,4,9H2,1-3H3,(H,19,20)
InChIKeyLZVBGLDRCVPBGX-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

2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79972285
(2R,3S)-5-oxo-1-propan-2-yl-2-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 51970559
(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 51970481
(2R,3R)-2-(2-ethoxyphenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylic acid
CID 16765267
(2S,3R)-1-[(2R)-butan-2-yl]-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217803
2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 114557623
2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 81008651
(3R,4S)-4-(2-ethoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 129493649
(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 51982857
3-(2-ethoxyphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359780
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
2-(3-ethoxy-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 82228543

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid (CID 63379248) is 2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid is CCOc1ccccc1C1C(C(=O)O)CC(=O)N1C(C)C.
What is the InChIKey of 2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is LZVBGLDRCVPBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-4-21-13-8-6-5-7-11(13)15-12(16(19)20)9-14(18)17(15)10(2)3/h5-8,10,12,15H,4,9H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
2-(2-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-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63379248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).