2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid

C12H12N2O5 — CID 82303598

IUPAC2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCOc1ccccc1C1NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C12H12N2O5/c1-19-8-5-3-2-4-7(8)10-11(17)14(6-9(15)16)12(18)13-10/h2-5,10H,6H2,1H3,(H,13,18)(H,15,16)
InChIKeyYZUJBONDEONRGI-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.37
Rot. Bonds4

About 2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 82303598) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID82303598
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCOc1ccccc1C1NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C12H12N2O5/c1-19-8-5-3-2-4-7(8)10-11(17)14(6-9(15)16)12(18)13-10/h2-5,10H,6H2,1H3,(H,13,18)(H,15,16)
InChIKeyYZUJBONDEONRGI-UHFFFAOYSA-N
XLogP0.37
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 82303598) is 2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid is COc1ccccc1C1NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is YZUJBONDEONRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-19-8-5-3-2-4-7(8)10-11(17)14(6-9(15)16)12(18)13-10/h2-5,10H,6H2,1H3,(H,13,18)(H,15,16).
What are the key properties of 2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 264.24 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 82303598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).