2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid

C12H12Cl2N2O4 — CID 57371470

IUPAC2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid
SMILESCC(C(=O)O)C1ON(C)C(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O4/c1-6(11(17)18)10-16(12(19)15(2)20-10)9-4-3-7(13)5-8(9)14/h3-6,10H,1-2H3,(H,17,18)
InChIKeyGXGQHYMBNTUFCV-UHFFFAOYSA-N
MW319.14 g/mol
LogP2.84
Rot. Bonds3

About 2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid

2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid (PubChem CID 57371470) has the molecular formula C12H12Cl2N2O4 and a molecular weight of 319.14 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid
PubChem CID57371470
Molecular FormulaC12H12Cl2N2O4
Molecular Weight319.14 g/mol
Exact Mass318.02
IUPAC Name2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid
SMILESCC(C(=O)O)C1ON(C)C(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O4/c1-6(11(17)18)10-16(12(19)15(2)20-10)9-4-3-7(13)5-8(9)14/h3-6,10H,1-2H3,(H,17,18)
InChIKeyGXGQHYMBNTUFCV-UHFFFAOYSA-N
XLogP2.84
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]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-[4-(2,4-dichlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid
CID 57361710
4-(2,4-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81008936
5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione
CID 70538548
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid
CID 143723671
cis-(1R,3S)-3-[[1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678700
1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid;S-(2,3,3-trichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate
CID 87379983
2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione
CID 171984926
2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-one
CID 12898506
3-[cyclopropyl-[1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 120535197
3-tert-butyl-1-(2,4-dichlorophenyl)-6-methylpiperazine-2,5-dione
CID 64961654
2-(5-chloro-2,3-dioxoindol-1-yl)-4-methylpentanoic acid
CID 67774720

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid?
The IUPAC name of 2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid (CID 57371470) is 2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid?
The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid is CC(C(=O)O)C1ON(C)C(=O)N1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid?
The InChIKey is GXGQHYMBNTUFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O4/c1-6(11(17)18)10-16(12(19)15(2)20-10)9-4-3-7(13)5-8(9)14/h3-6,10H,1-2H3,(H,17,18).
What are the key properties of 2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid?
2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid has a molecular weight of 319.14 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenyl)-2-methyl-3-oxo-1,2,4-oxadiazolidin-5-yl]propanoic acid is sourced from PubChem (CID 57371470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).