5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid

C16H19NO4 — CID 82846688

IUPAC5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid
SMILESCC(CCCC(=O)O)N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C16H19NO4/c1-11(6-5-9-15(19)20)17-14(18)10-13(16(17)21)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,19,20)
InChIKeyBTTTZMTVIGDBMY-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.17
Rot. Bonds6

About 5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid

5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid (PubChem CID 82846688) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid
PubChem CID82846688
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid
SMILESCC(CCCC(=O)O)N1C(=O)CC(c2ccccc2)C1=O
InChIInChI=1S/C16H19NO4/c1-11(6-5-9-15(19)20)17-14(18)10-13(16(17)21)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,19,20)
InChIKeyBTTTZMTVIGDBMY-UHFFFAOYSA-N
XLogP2.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.17
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 5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid?
The IUPAC name of 5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid (CID 82846688) is 5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid.
What is the SMILES notation for 5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid?
The canonical SMILES for 5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid is CC(CCCC(=O)O)N1C(=O)CC(c2ccccc2)C1=O.
What is the InChIKey of 5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid?
The InChIKey is BTTTZMTVIGDBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11(6-5-9-15(19)20)17-14(18)10-13(16(17)21)12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H,19,20).
What are the key properties of 5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid?
5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxo-3-phenylpyrrolidin-1-yl)hexanoic acid is sourced from PubChem (CID 82846688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).