2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid

C13H16N2O3 — CID 114996165

IUPAC2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid
SMILESCN1CCN(C(C)(C(=O)O)c2ccccc2)C1=O
InChIInChI=1S/C13H16N2O3/c1-13(11(16)17,10-6-4-3-5-7-10)15-9-8-14(2)12(15)18/h3-7H,8-9H2,1-2H3,(H,16,17)
InChIKeyRDOKRJOMOXVKTA-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.35
Rot. Bonds3

About 2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid

2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid (PubChem CID 114996165) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid
PubChem CID114996165
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid
SMILESCN1CCN(C(C)(C(=O)O)c2ccccc2)C1=O
InChIInChI=1S/C13H16N2O3/c1-13(11(16)17,10-6-4-3-5-7-10)15-9-8-14(2)12(15)18/h3-7H,8-9H2,1-2H3,(H,16,17)
InChIKeyRDOKRJOMOXVKTA-UHFFFAOYSA-N
XLogP1.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methyl-2-oxoimidazolidin-1-yl)-2-pyridin-2-ylpropanoic acid
CID 114996239
2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
(2R)-2-(1,3-dioxoisoindol-2-yl)-2-phenylpropanoic acid
CID 102370956
2-(3-methylazetidin-1-yl)-2-phenylpropanoic acid
CID 79695383
2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid
CID 115000736
2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid
CID 114989853
1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)
CID 167559472
1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one
CID 161035716
2-(azepan-1-yl)-2-(4-bromophenyl)propanoic acid
CID 61057163
2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
CID 61342532
2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid
CID 62270100
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid?
The IUPAC name of 2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid (CID 114996165) is 2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid?
The canonical SMILES for 2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid is CN1CCN(C(C)(C(=O)O)c2ccccc2)C1=O.
What is the InChIKey of 2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid?
The InChIKey is RDOKRJOMOXVKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(11(16)17,10-6-4-3-5-7-10)15-9-8-14(2)12(15)18/h3-7H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid?
2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid is sourced from PubChem (CID 114996165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).