5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid

C17H15NO4 — CID 2741833

IUPAC5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C17H15NO4/c19-16-10-12(17(20)21)11-18(16)13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,21)
InChIKeyTWESYTWUFWEEIU-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.92
Rot. Bonds4

About 5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid

5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 2741833) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID2741833
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C17H15NO4/c19-16-10-12(17(20)21)11-18(16)13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,21)
InChIKeyTWESYTWUFWEEIU-UHFFFAOYSA-N
XLogP2.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2736758
1-(2-Methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
(3S)-3-amino-5-[(4-phenoxyphenyl)carbamoyl]pentanoic acid
CID 24901630
3-[(2S)-2-amino-N-(4-phenoxyphenyl)pentanediamido]propanoic acid
CID 24901632
4-[(2,6-Dimethylmorpholin-4-yl)carbonyl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 6457883
Methyl 1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 616398
1-{4-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-5-oxopyrrolidine-3-carboxylic acid
CID 651833
Ethyl 1-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperidine-4-carboxylate
CID 2858493
Methyl 1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylate
CID 2967353
2-[(2S)-1-(4-phenoxyphenyl)pyrrolidin-2-yl]acetic acid
CID 58218542
2-[(2S)-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid
CID 58218638
2-[(2S)-1-[4-(2-fluorophenoxy)phenyl]pyrrolidin-2-yl]acetic acid
CID 58218740

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid (CID 2741833) is 5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of 5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is TWESYTWUFWEEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c19-16-10-12(17(20)21)11-18(16)13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,20,21).
What are the key properties of 5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2741833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).