2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid

C16H19NO4 — CID 3486622

IUPAC2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid
SMILESCC(=O)C1C(CC(=O)O)C(=O)N(Cc2ccccc2)C1C
InChIInChI=1S/C16H19NO4/c1-10-15(11(2)18)13(8-14(19)20)16(21)17(10)9-12-6-4-3-5-7-12/h3-7,10,13,15H,8-9H2,1-2H3,(H,19,20)
InChIKeyCXEKPZZKASLLDM-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.71
Rot. Bonds5

About 2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid

2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid (PubChem CID 3486622) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid
PubChem CID3486622
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid
SMILESCC(=O)C1C(CC(=O)O)C(=O)N(Cc2ccccc2)C1C
InChIInChI=1S/C16H19NO4/c1-10-15(11(2)18)13(8-14(19)20)16(21)17(10)9-12-6-4-3-5-7-12/h3-7,10,13,15H,8-9H2,1-2H3,(H,19,20)
InChIKeyCXEKPZZKASLLDM-UHFFFAOYSA-N
XLogP1.71
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid (CID 3486622) is 2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid is CC(=O)C1C(CC(=O)O)C(=O)N(Cc2ccccc2)C1C.
What is the InChIKey of 2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid?
The InChIKey is CXEKPZZKASLLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10-15(11(2)18)13(8-14(19)20)16(21)17(10)9-12-6-4-3-5-7-12/h3-7,10,13,15H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid?
2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid has a molecular weight of 289.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 3486622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).