2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid

C17H15NO3 — CID 24688652

IUPAC2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C17H15NO3/c19-16-14(17(20)21)10-11-18(16)15-9-5-4-8-13(15)12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,20,21)
InChIKeyHQJXRASZKBAXDD-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.79
Rot. Bonds3

About 2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid

2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 24688652) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID24688652
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C17H15NO3/c19-16-14(17(20)21)10-11-18(16)15-9-5-4-8-13(15)12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,20,21)
InChIKeyHQJXRASZKBAXDD-UHFFFAOYSA-N
XLogP2.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-naphthalen-1-yl-2-oxopyrrolidine-3-carboxylic acid
CID 40623391
4-(2,2-dimethylpropanoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 42847436
1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid
CID 42853495
(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
CID 42257007
(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 40649107
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
1-(3-carboxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82367415
2-(2-phenylphenyl)-1,2-diazabicyclo[2.2.2]octane
CID 151588176
1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 102805640
2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119225559
1-[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355870
(3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one
CID 93323612

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid (CID 24688652) is 2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2ccccc2-c2ccccc2)C1=O.
What is the InChIKey of 2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HQJXRASZKBAXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16-14(17(20)21)10-11-18(16)15-9-5-4-8-13(15)12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,20,21).
What are the key properties of 2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid?
2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2-phenylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 24688652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).