2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid

C15H17NO4 — CID 43437399

IUPAC2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid
SMILESCC(C)C1(C)CC(=O)N(c2ccccc2C(=O)O)C1=O
InChIInChI=1S/C15H17NO4/c1-9(2)15(3)8-12(17)16(14(15)20)11-7-5-4-6-10(11)13(18)19/h4-7,9H,8H2,1-3H3,(H,18,19)
InChIKeyMVSFNFVBDZEXAE-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.31
Rot. Bonds3

About 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid

2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid (PubChem CID 43437399) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid
PubChem CID43437399
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid
SMILESCC(C)C1(C)CC(=O)N(c2ccccc2C(=O)O)C1=O
InChIInChI=1S/C15H17NO4/c1-9(2)15(3)8-12(17)16(14(15)20)11-7-5-4-6-10(11)13(18)19/h4-7,9H,8H2,1-3H3,(H,18,19)
InChIKeyMVSFNFVBDZEXAE-UHFFFAOYSA-N
XLogP2.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.31
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 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid?
The IUPAC name of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid (CID 43437399) is 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid.
What is the SMILES notation for 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid?
The canonical SMILES for 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid is CC(C)C1(C)CC(=O)N(c2ccccc2C(=O)O)C1=O.
What is the InChIKey of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid?
The InChIKey is MVSFNFVBDZEXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9(2)15(3)8-12(17)16(14(15)20)11-7-5-4-6-10(11)13(18)19/h4-7,9H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid?
2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid has a molecular weight of 275.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)benzoic acid is sourced from PubChem (CID 43437399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).