2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid

C13H16N2O3 — CID 117373413

IUPAC2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid
SMILESCC(Cc1ccccc1N1CCC(=O)N1)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-9(13(17)18)8-10-4-2-3-5-11(10)15-7-6-12(16)14-15/h2-5,9H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyVVEGBLRYOFRICO-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.19
Rot. Bonds4

About 2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid

2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid (PubChem CID 117373413) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid
PubChem CID117373413
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid
SMILESCC(Cc1ccccc1N1CCC(=O)N1)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-9(13(17)18)8-10-4-2-3-5-11(10)15-7-6-12(16)14-15/h2-5,9H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyVVEGBLRYOFRICO-UHFFFAOYSA-N
XLogP1.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-3-[2-(3-oxopiperazin-1-yl)phenyl]propanoic acid
CID 117410307
1-[2-(1-hydroxyethyl)phenyl]pyrazolidin-3-one
CID 84674088
2-methyl-3-[2-(2-oxo-1H-imidazol-3-yl)phenyl]propanoic acid
CID 117367574
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
3-[2-(3-oxopyrazolidin-1-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117433260
sodium;1-phenylpyrazolidin-3-one;bromide
CID 157299139
3-(1-benzyl-2,3-dihydroindol-7-yl)-2-methylpropanoic acid
CID 115107241
3-[2-(1-hydroxycyclopropyl)phenyl]-2-methylpropanoic acid
CID 115112820
1-(2-methylphenyl)diazinan-3-one
CID 15056538
3-[2-(diethylamino)phenyl]-2-methylpropanoic acid
CID 117342727
2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid
CID 115006023
2-methyl-3-[1-(oxan-4-ylmethyl)-2,3-dihydroindol-4-yl]propanoic acid
CID 115106195

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid?
The IUPAC name of 2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid (CID 117373413) is 2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid is CC(Cc1ccccc1N1CCC(=O)N1)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid?
The InChIKey is VVEGBLRYOFRICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(13(17)18)8-10-4-2-3-5-11(10)15-7-6-12(16)14-15/h2-5,9H,6-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid?
2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid is sourced from PubChem (CID 117373413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).