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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Related Compounds

2-[4-(2,2-dihydroxyethyl)-2,5-dioxopiperazin-1-yl]acetic acid
CID 54189259
1-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 18669456
2-(3-benzyl-2,4-dioxoimidazolidin-1-yl)acetic acid
CID 70097452
1-ethyl-3-propan-2-yl-2-sulfanylideneimidazolidin-4-one;1-ethyl-3-propan-2-yl-4-sulfanylideneimidazolidin-2-one
CID 161355808
2-[(6S)-2,4-dioxo-6-phenyl-3-propan-2-yl-1,3-diazinan-1-yl]acetic acid
CID 59370448
4,6-dichloro-3-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid
CID 11811080
2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
1-[(4-methyl-2-phenylpiperazin-1-yl)methyl]-3-propan-2-ylimidazolidine-2,4-dione
CID 60608265
2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid
CID 105442055
2-[3-(2-fluorophenyl)-2,4-dioxoimidazolidin-1-yl]acetic acid
CID 63646933
1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
CID 60644562
2-[4-[(2S)-1-ethylsulfanylpropan-2-yl]-2-oxopiperazin-1-yl]acetic acid
CID 125444985

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).