2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid

C18H15NO4 — CID 2868155

IUPAC2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid
SMILESO=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H15NO4/c20-15(21)11-14-16(12-7-3-1-4-8-12)19(18(23)17(14)22)13-9-5-2-6-10-13/h1-10,16,22H,11H2,(H,20,21)
InChIKeyCPQWYQYYKHMQNJ-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.06
Rot. Bonds4

About 2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid

2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid (PubChem CID 2868155) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid
PubChem CID2868155
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid
SMILESO=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H15NO4/c20-15(21)11-14-16(12-7-3-1-4-8-12)19(18(23)17(14)22)13-9-5-2-6-10-13/h1-10,16,22H,11H2,(H,20,21)
InChIKeyCPQWYQYYKHMQNJ-UHFFFAOYSA-N
XLogP3.06
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4Z)-4-(1-hydroxyethylidene)-1-(4-methylphenyl)-5-phenylpyrrolidine-2,3-dione
CID 3798520
4-acetyl-1-benzyl-5-[4-(dimethylamino)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
CID 2890632
ethyl 2-cyclohexyl-4-hydroxy-1-(4-methylphenyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 54712652
1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-
CID 3073045
3-[3-acetyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic acid
CID 660835
4-(2,2-Dimethyl-propionyl)-3-hydroxy-1,5-diphenyl-1,5-dihydro-pyrrol-2-one
CID 2864532
(4-Anilino-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrrol-3-yl)acetic acid
CID 2868640
ethyl 2-(4-fluorophenyl)-4-hydroxy-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate
CID 54707734
6-{3-acetyl-2-[4-(dimethylamino)phenyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid
CID 660373
3-[3-acetyl-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzoic acid
CID 660746
ethyl 4-hydroxy-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrrole-3-carboxylate
CID 54676722
Glycine, N,2-diphenyl-N-(phenylacetyl)-
CID 3068542

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid (CID 2868155) is 2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid is O=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid?
The InChIKey is CPQWYQYYKHMQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-15(21)11-14-16(12-7-3-1-4-8-12)19(18(23)17(14)22)13-9-5-2-6-10-13/h1-10,16,22H,11H2,(H,20,21).
What are the key properties of 2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid?
2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid has a molecular weight of 309.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid is sourced from PubChem (CID 2868155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).