3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid

C5H6N2O4 — CID 87389629

IUPAC3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid
SMILESCN1C(=O)CN(C(=O)O)C1=O
InChIInChI=1S/C5H6N2O4/c1-6-3(8)2-7(4(6)9)5(10)11/h2H2,1H3,(H,10,11)
InChIKeyDAMOAMINTXSHDZ-UHFFFAOYSA-N
MW158.11 g/mol
LogP-0.44
Rot. Bonds

About 3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid

3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid (PubChem CID 87389629) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is 3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid
PubChem CID87389629
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid
SMILESCN1C(=O)CN(C(=O)O)C1=O
InChIInChI=1S/C5H6N2O4/c1-6-3(8)2-7(4(6)9)5(10)11/h2H2,1H3,(H,10,11)
InChIKeyDAMOAMINTXSHDZ-UHFFFAOYSA-N
XLogP-0.44
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-0.44
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

1,3-Dimethylimidazolidine-2,4-dione
CID 123410
2-(3-Methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
CID 4962467
1,3-Bis(hydroxymethyl)imidazolidine-2,4-dione
CID 336387
2-(3-Methyl-2,4-dioxoimidazolidin-1-yl)acetic acid
CID 79006640
2,5-Dioxoimidazolidine-1-carboxylic acid
CID 67883072
3-Methyl-4-oxo-imidazolidine1-carboxylic acid
CID 164513039
2-(3-Methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
CID 15096139
2-[3-(Carboxymethyl)-2,4-dioxoimidazolidin-1-yl]acetic acid
CID 15633824
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
1,3-Bis(methoxymethyl)imidazolidine-2,4-dione
CID 10219738
3-(Hydroxymethyl)-1-methylimidazolidine-2,4-dione
CID 12439709

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid?
The IUPAC name of 3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid (CID 87389629) is 3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid.
What is the SMILES notation for 3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid?
The canonical SMILES for 3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid is CN1C(=O)CN(C(=O)O)C1=O.
What is the InChIKey of 3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid?
The InChIKey is DAMOAMINTXSHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c1-6-3(8)2-7(4(6)9)5(10)11/h2H2,1H3,(H,10,11).
What are the key properties of 3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid?
3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid has a molecular weight of 158.11 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dioxoimidazolidine-1-carboxylic acid is sourced from PubChem (CID 87389629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).