2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid

C15H18N2O4 — CID 139233113

IUPAC2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid
SMILESCC(C)N1C(=O)C(C)N(c2ccc(CC(=O)O)cc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-9(2)16-14(20)10(3)17(15(16)21)12-6-4-11(5-7-12)8-13(18)19/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyOKIDRXSVXIPTGU-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.88
Rot. Bonds4

About 2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid

2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid (PubChem CID 139233113) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid
PubChem CID139233113
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid
SMILESCC(C)N1C(=O)C(C)N(c2ccc(CC(=O)O)cc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-9(2)16-14(20)10(3)17(15(16)21)12-6-4-11(5-7-12)8-13(18)19/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyOKIDRXSVXIPTGU-UHFFFAOYSA-N
XLogP1.88
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid (CID 139233113) is 2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid is CC(C)N1C(=O)C(C)N(c2ccc(CC(=O)O)cc2)C1=O.
What is the InChIKey of 2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid?
The InChIKey is OKIDRXSVXIPTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9(2)16-14(20)10(3)17(15(16)21)12-6-4-11(5-7-12)8-13(18)19/h4-7,9-10H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid?
2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid is sourced from PubChem (CID 139233113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).