2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid

C6H6N2O5 — CID 15096139

IUPAC2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
SMILESCN1C(=O)C(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C6H6N2O5/c1-7-4(11)5(12)8(6(7)13)2-3(9)10/h2H2,1H3,(H,9,10)
InChIKeyDBEMFGLKJCRBRS-UHFFFAOYSA-N
MW186.12 g/mol
LogP-1.51
Rot. Bonds2

About 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid

2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid (PubChem CID 15096139) has the molecular formula C6H6N2O5 and a molecular weight of 186.12 g/mol. Its IUPAC name is 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
PubChem CID15096139
Molecular FormulaC6H6N2O5
Molecular Weight186.12 g/mol
Exact Mass186.03
IUPAC Name2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
SMILESCN1C(=O)C(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C6H6N2O5/c1-7-4(11)5(12)8(6(7)13)2-3(9)10/h2H2,1H3,(H,9,10)
InChIKeyDBEMFGLKJCRBRS-UHFFFAOYSA-N
XLogP-1.51
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-Dioxoimidazolidin-1-yl)acetic acid
CID 2512552
2-(2,4-Dioxoimidazolidin-1-yl)acetic acid
CID 3159673
2-(3-Methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
CID 4962467
2-(3-Methyl-2,4-dioxoimidazolidin-1-yl)acetic acid
CID 79006640
Methylhydantoinsaure
CID 87389629
3-Methyl-4-oxo-imidazolidine1-carboxylic acid
CID 164513039
2-[3-(Carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid
CID 15633824
Methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate
CID 28825343
2-[[2-(3-Methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265249
2-Fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
CID 81297726
2-Fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
CID 81297875
2-Fluoro-2-(3-methyl-2-oxoimidazolidin-1-yl)acetic acid
CID 81298014

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid (CID 15096139) is 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid is CN1C(=O)C(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
The InChIKey is DBEMFGLKJCRBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O5/c1-7-4(11)5(12)8(6(7)13)2-3(9)10/h2H2,1H3,(H,9,10).
What are the key properties of 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid has a molecular weight of 186.12 g/mol, XLogP of -1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 15096139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).