5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid

C15H14N2O3 — CID 168691890

IUPAC5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccccc2-n2cccc2)C1
InChIInChI=1S/C15H14N2O3/c18-14-9-11(15(19)20)10-17(14)13-6-2-1-5-12(13)16-7-3-4-8-16/h1-8,11H,9-10H2,(H,19,20)
InChIKeyZKAZSLHIPNFNOV-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.91
Rot. Bonds3

About 5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid

5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 168691890) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID168691890
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccccc2-n2cccc2)C1
InChIInChI=1S/C15H14N2O3/c18-14-9-11(15(19)20)10-17(14)13-6-2-1-5-12(13)16-7-3-4-8-16/h1-8,11H,9-10H2,(H,19,20)
InChIKeyZKAZSLHIPNFNOV-UHFFFAOYSA-N
XLogP1.91
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50948586
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 50895960
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
(3S)-1-(2-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 735284
1-(3-aminonaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692175
(3R)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carbonyl chloride
CID 94077588
1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692273
methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693437
methyl 5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 50879609
1-[2-(2-methylpropoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 54792456
methyl (3S)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077585

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid (CID 168691890) is 5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccccc2-n2cccc2)C1.
What is the InChIKey of 5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ZKAZSLHIPNFNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14-9-11(15(19)20)10-17(14)13-6-2-1-5-12(13)16-7-3-4-8-16/h1-8,11H,9-10H2,(H,19,20).
What are the key properties of 5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).