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

C6H8N2O4 — CID 79006640

IUPAC2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid
SMILESCN1C(=O)CN(CC(=O)O)C1=O
InChIInChI=1S/C6H8N2O4/c1-7-4(9)2-8(6(7)12)3-5(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyBORNPNOFKCUJOK-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.03
Rot. Bonds2

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

2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid (PubChem CID 79006640) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid
PubChem CID79006640
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid
SMILESCN1C(=O)CN(CC(=O)O)C1=O
InChIInChI=1S/C6H8N2O4/c1-7-4(9)2-8(6(7)12)3-5(10)11/h2-3H2,1H3,(H,10,11)
InChIKeyBORNPNOFKCUJOK-UHFFFAOYSA-N
XLogP-1.03
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methyl-2,4-dioxoimidazolidin-1-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid (CID 79006640) is 2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid is CN1C(=O)CN(CC(=O)O)C1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid?
The InChIKey is BORNPNOFKCUJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-7-4(9)2-8(6(7)12)3-5(10)11/h2-3H2,1H3,(H,10,11).
What are the key properties of 2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid?
2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid has a molecular weight of 172.14 g/mol, XLogP of -1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxoimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 79006640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).