3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid

C14H18N2O3 — CID 116982044

IUPAC3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCc1cccc(C2CN(CCC(=O)O)C(=O)N2C)c1
InChIInChI=1S/C14H18N2O3/c1-10-4-3-5-11(8-10)12-9-16(7-6-13(17)18)14(19)15(12)2/h3-5,8,12H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyKSHCXROKQKYXAV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.88
Rot. Bonds4

About 3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid

3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid (PubChem CID 116982044) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
PubChem CID116982044
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCc1cccc(C2CN(CCC(=O)O)C(=O)N2C)c1
InChIInChI=1S/C14H18N2O3/c1-10-4-3-5-11(8-10)12-9-16(7-6-13(17)18)14(19)15(12)2/h3-5,8,12H,6-7,9H2,1-2H3,(H,17,18)
InChIKeyKSHCXROKQKYXAV-UHFFFAOYSA-N
XLogP1.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-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

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid (CID 116982044) is 3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid is Cc1cccc(C2CN(CCC(=O)O)C(=O)N2C)c1.
What is the InChIKey of 3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid?
The InChIKey is KSHCXROKQKYXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-4-3-5-11(8-10)12-9-16(7-6-13(17)18)14(19)15(12)2/h3-5,8,12H,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid?
3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 116982044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).