4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid

C22H23NO4 — CID 138112022

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid
SMILESCC(CC(Cc1ccc(-c2ccccc2)cc1)N1C(=O)CCC1=O)C(=O)O
InChIInChI=1S/C22H23NO4/c1-15(22(26)27)13-19(23-20(24)11-12-21(23)25)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,26,27)
InChIKeyMZDRJPZNLPSUPV-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.52
Rot. Bonds7

About 4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid

4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid (PubChem CID 138112022) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid
PubChem CID138112022
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid
SMILESCC(CC(Cc1ccc(-c2ccccc2)cc1)N1C(=O)CCC1=O)C(=O)O
InChIInChI=1S/C22H23NO4/c1-15(22(26)27)13-19(23-20(24)11-12-21(23)25)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,26,27)
InChIKeyMZDRJPZNLPSUPV-UHFFFAOYSA-N
XLogP3.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid (CID 138112022) is 4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid is CC(CC(Cc1ccc(-c2ccccc2)cc1)N1C(=O)CCC1=O)C(=O)O.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is MZDRJPZNLPSUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-15(22(26)27)13-19(23-20(24)11-12-21(23)25)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,26,27).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid?
4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 365.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-2-methyl-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 138112022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).