2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid

C8H12N2O4 — CID 63647102

IUPAC2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid
SMILESCC(C)N1C(=O)CN(CC(=O)O)C1=O
InChIInChI=1S/C8H12N2O4/c1-5(2)10-6(11)3-9(8(10)14)4-7(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyARDJYODEGCBMFD-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.26
Rot. Bonds3

About 2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid

2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid (PubChem CID 63647102) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid
PubChem CID63647102
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid
SMILESCC(C)N1C(=O)CN(CC(=O)O)C1=O
InChIInChI=1S/C8H12N2O4/c1-5(2)10-6(11)3-9(8(10)14)4-7(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyARDJYODEGCBMFD-UHFFFAOYSA-N
XLogP-0.26
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.26
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-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid (CID 63647102) is 2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid is CC(C)N1C(=O)CN(CC(=O)O)C1=O.
What is the InChIKey of 2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid?
The InChIKey is ARDJYODEGCBMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-5(2)10-6(11)3-9(8(10)14)4-7(12)13/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid?
2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid has a molecular weight of 200.19 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 63647102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).