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

C14H15NO4 — CID 43437460

IUPAC2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)CC(C)(c2ccccc2)C1=O
InChIInChI=1S/C14H15NO4/c1-9(12(17)18)15-11(16)8-14(2,13(15)19)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyOASTXHBACHTLJO-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.18
Rot. Bonds3

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

2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid (PubChem CID 43437460) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid
PubChem CID43437460
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)CC(C)(c2ccccc2)C1=O
InChIInChI=1S/C14H15NO4/c1-9(12(17)18)15-11(16)8-14(2,13(15)19)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyOASTXHBACHTLJO-UHFFFAOYSA-N
XLogP1.18
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.18
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-phenylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid (CID 43437460) is 2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid is CC(C(=O)O)N1C(=O)CC(C)(c2ccccc2)C1=O.
What is the InChIKey of 2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid?
The InChIKey is OASTXHBACHTLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9(12(17)18)15-11(16)8-14(2,13(15)19)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid?
2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.18, 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-phenylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 43437460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).