2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid

C12H12N2O4 — CID 70097452

IUPAC2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid
SMILESO=C(O)CN1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C12H12N2O4/c15-10-7-13(8-11(16)17)12(18)14(10)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17)
InChIKeyIFZNEOLAZXTERC-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.54
Rot. Bonds4

About 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid

2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid (PubChem CID 70097452) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid
PubChem CID70097452
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid
SMILESO=C(O)CN1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C12H12N2O4/c15-10-7-13(8-11(16)17)12(18)14(10)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17)
InChIKeyIFZNEOLAZXTERC-UHFFFAOYSA-N
XLogP0.54
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.54
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-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid (CID 70097452) is 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid is O=C(O)CN1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid?
The InChIKey is IFZNEOLAZXTERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-10-7-13(8-11(16)17)12(18)14(10)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17).
What are the key properties of 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid?
2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid has a molecular weight of 248.24 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 70097452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).