2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid

C15H19NO4 — CID 168661645

IUPAC2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid
SMILESCCC(C(=O)O)(c1ccccc1)N1CC(CO)CC1=O
InChIInChI=1S/C15H19NO4/c1-2-15(14(19)20,12-6-4-3-5-7-12)16-9-11(10-17)8-13(16)18/h3-7,11,17H,2,8-10H2,1H3,(H,19,20)
InChIKeyFFKXIYCIZLYQNK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.22
Rot. Bonds5

About 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid

2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid (PubChem CID 168661645) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid
PubChem CID168661645
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid
SMILESCCC(C(=O)O)(c1ccccc1)N1CC(CO)CC1=O
InChIInChI=1S/C15H19NO4/c1-2-15(14(19)20,12-6-4-3-5-7-12)16-9-11(10-17)8-13(16)18/h3-7,11,17H,2,8-10H2,1H3,(H,19,20)
InChIKeyFFKXIYCIZLYQNK-UHFFFAOYSA-N
XLogP1.22
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic 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-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid?
The IUPAC name of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid (CID 168661645) is 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid?
The canonical SMILES for 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid is CCC(C(=O)O)(c1ccccc1)N1CC(CO)CC1=O.
What is the InChIKey of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid?
The InChIKey is FFKXIYCIZLYQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-15(14(19)20,12-6-4-3-5-7-12)16-9-11(10-17)8-13(16)18/h3-7,11,17H,2,8-10H2,1H3,(H,19,20).
What are the key properties of 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid?
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid is sourced from PubChem (CID 168661645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).