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

C6H8N2O4 — CID 548276

IUPAC2-(1-methyl-2,5-dioxoimidazolidin-4-yl)acetic acid
SMILESCN1C(=O)NC(CC(=O)O)C1=O
InChIInChI=1S/C6H8N2O4/c1-8-5(11)3(2-4(9)10)7-6(8)12/h3H,2H2,1H3,(H,7,12)(H,9,10)
InChIKeyGOAOQRDQVAFASF-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.99
Rot. Bonds2

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

2-(1-methyl-2,5-dioxoimidazolidin-4-yl)acetic acid (PubChem CID 548276) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-(1-methyl-2,5-dioxoimidazolidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-2,5-dioxoimidazolidin-4-yl)acetic acid
PubChem CID548276
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name2-(1-methyl-2,5-dioxoimidazolidin-4-yl)acetic acid
SMILESCN1C(=O)NC(CC(=O)O)C1=O
InChIInChI=1S/C6H8N2O4/c1-8-5(11)3(2-4(9)10)7-6(8)12/h3H,2H2,1H3,(H,7,12)(H,9,10)
InChIKeyGOAOQRDQVAFASF-UHFFFAOYSA-N
XLogP-0.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-methyl-2,5-dioxoimidazolidin-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-5-Carboxymethylhydantoin
CID 440092
2,5-Dioxo-1,3-diazolidin-4-ylacetic acid
CID 95492
3-(2,4-Dioxoimidazolidin-1-yl)alanine
CID 3035628
(1-Cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid
CID 6486728
Methyl (2,5-dioxoimidazolidin-4-yl)acetate
CID 5296047
2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid
CID 3849003
4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 4962194
[(4r)-2,5-Dioxoimidazolidin-4-Yl]acetic Acid
CID 1152519
L-5-carboxylatomethylhydantoin(1-)
CID 6978734
4-(2,5-Dioxo-imidazolidin-1-yl)-butyric acid
CID 2554535
Aspartylurea
CID 129709653
ureidosuccinic acid N-methylamide
CID 129790276

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,5-dioxoimidazolidin-4-yl)acetic acid?
The IUPAC name of 2-(1-methyl-2,5-dioxoimidazolidin-4-yl)acetic acid (CID 548276) is 2-(1-methyl-2,5-dioxoimidazolidin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-2,5-dioxoimidazolidin-4-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-2,5-dioxoimidazolidin-4-yl)acetic acid is CN1C(=O)NC(CC(=O)O)C1=O.
What is the InChIKey of 2-(1-methyl-2,5-dioxoimidazolidin-4-yl)acetic acid?
The InChIKey is GOAOQRDQVAFASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-8-5(11)3(2-4(9)10)7-6(8)12/h3H,2H2,1H3,(H,7,12)(H,9,10).
What are the key properties of 2-(1-methyl-2,5-dioxoimidazolidin-4-yl)acetic acid?
2-(1-methyl-2,5-dioxoimidazolidin-4-yl)acetic acid has a molecular weight of 172.14 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,5-dioxoimidazolidin-4-yl)acetic acid is sourced from PubChem (CID 548276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).