3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid

C13H14N2O4 — CID 146180545

IUPAC3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid
SMILESCC(CC1(c2ccccc2)NC(=O)NC1=O)C(=O)O
InChIInChI=1S/C13H14N2O4/c1-8(10(16)17)7-13(9-5-3-2-4-6-9)11(18)14-12(19)15-13/h2-6,8H,7H2,1H3,(H,16,17)(H2,14,15,18,19)
InChIKeyYAUUYZDXTCHUAO-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.83
Rot. Bonds4

About 3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid

3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid (PubChem CID 146180545) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid
PubChem CID146180545
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid
SMILESCC(CC1(c2ccccc2)NC(=O)NC1=O)C(=O)O
InChIInChI=1S/C13H14N2O4/c1-8(10(16)17)7-13(9-5-3-2-4-6-9)11(18)14-12(19)15-13/h2-6,8H,7H2,1H3,(H,16,17)(H2,14,15,18,19)
InChIKeyYAUUYZDXTCHUAO-UHFFFAOYSA-N
XLogP0.83
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-5-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 117066351
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-N-pyridin-2-ylpropanamide
CID 110677297
5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677215
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-N-(4-methylphenyl)propanamide
CID 110677254
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-N-ethyl-N-phenylpropanamide
CID 110677266
N-benzyl-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide
CID 110677217
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 110677220
5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677250
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110677230
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-N-(4-methoxyphenyl)propanamide
CID 110677281
N-[(2-chlorophenyl)methyl]-3-(2,5-dioxo-4-phenylimidazolidin-4-yl)propanamide
CID 110677225
5-(hydroxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
CID 11075334

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid (CID 146180545) is 3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid is CC(CC1(c2ccccc2)NC(=O)NC1=O)C(=O)O.
What is the InChIKey of 3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid?
The InChIKey is YAUUYZDXTCHUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8(10(16)17)7-13(9-5-3-2-4-6-9)11(18)14-12(19)15-13/h2-6,8H,7H2,1H3,(H,16,17)(H2,14,15,18,19).
What are the key properties of 3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid?
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid has a molecular weight of 262.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 146180545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).