2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid

C19H21N2O3+ — CID 67737268

IUPAC2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)N1CC[N+](c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C19H20N2O3/c1-19(2,17(22)23)20-13-14-21(18(20)24,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/p+1
InChIKeyVBEHEKDTYKAWQY-UHFFFAOYSA-O
MW325.39 g/mol
LogP3.62
Rot. Bonds4

About 2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid

2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid (PubChem CID 67737268) has the molecular formula C19H21N2O3+ and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid
PubChem CID67737268
Molecular FormulaC19H21N2O3+
Molecular Weight325.39 g/mol
Exact Mass325.15
IUPAC Name2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)N1CC[N+](c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C19H20N2O3/c1-19(2,17(22)23)20-13-14-21(18(20)24,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/p+1
InChIKeyVBEHEKDTYKAWQY-UHFFFAOYSA-O
XLogP3.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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CID 139705211
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2-(3-methyl-2-oxoimidazolidin-1-yl)-2-pyridin-2-ylpropanoic acid
CID 114996239
2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid
CID 116979592
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CID 114997894
2-methyl-2-[4-(4-methylphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid
CID 82346947
2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid
CID 84782289
4-[benzoyl(tert-butyl)amino]piperidine-1-carboxylic acid
CID 175226509
6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one
CID 18795551

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid (CID 67737268) is 2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid is CC(C)(C(=O)O)N1CC[N+](c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid?
The InChIKey is VBEHEKDTYKAWQY-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20N2O3/c1-19(2,17(22)23)20-13-14-21(18(20)24,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/p+1.
What are the key properties of 2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid?
2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid has a molecular weight of 325.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-oxo-3,3-diphenylimidazolidin-3-ium-1-yl)propanoic acid is sourced from PubChem (CID 67737268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).