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

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Related Compounds

3-[4-(4-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982042
2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid
CID 116982014
4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116982256
1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one
CID 116981434
2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile
CID 116982437
3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid
CID 116982028
3-(7-methyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)propanoic acid
CID 82142835
3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116982515
2,2-dimethyl-3-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid
CID 116982182
3-methyl-1-[2-(methylamino)ethyl]-4-(4-methylphenyl)imidazolidin-2-one
CID 116981228
1-(3-aminopropyl)-3-methyl-4-(4-methylphenyl)imidazolidin-2-one
CID 116981435
3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile
CID 116982524

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).