3-methyl-4-oxoimidazolidine-1-carboxylic acid

C5H8N2O3 — CID 164513039

IUPAC3-methyl-4-oxoimidazolidine-1-carboxylic acid
SMILESCN1CN(C(=O)O)CC1=O
InChIInChI=1S/C5H8N2O3/c1-6-3-7(5(9)10)2-4(6)8/h2-3H2,1H3,(H,9,10)
InChIKeyOMXRSRCRNVPADA-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.60
Rot. Bonds

About 3-methyl-4-oxoimidazolidine-1-carboxylic acid

3-methyl-4-oxoimidazolidine-1-carboxylic acid (PubChem CID 164513039) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 3-methyl-4-oxoimidazolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-oxoimidazolidine-1-carboxylic acid
PubChem CID164513039
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name3-methyl-4-oxoimidazolidine-1-carboxylic acid
SMILESCN1CN(C(=O)O)CC1=O
InChIInChI=1S/C5H8N2O3/c1-6-3-7(5(9)10)2-4(6)8/h2-3H2,1H3,(H,9,10)
InChIKeyOMXRSRCRNVPADA-UHFFFAOYSA-N
XLogP-0.60
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-oxoimidazolidine-1-carboxylic 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 3-methyl-4-oxoimidazolidine-1-carboxylic acid?
The IUPAC name of 3-methyl-4-oxoimidazolidine-1-carboxylic acid (CID 164513039) is 3-methyl-4-oxoimidazolidine-1-carboxylic acid.
What is the SMILES notation for 3-methyl-4-oxoimidazolidine-1-carboxylic acid?
The canonical SMILES for 3-methyl-4-oxoimidazolidine-1-carboxylic acid is CN1CN(C(=O)O)CC1=O.
What is the InChIKey of 3-methyl-4-oxoimidazolidine-1-carboxylic acid?
The InChIKey is OMXRSRCRNVPADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-6-3-7(5(9)10)2-4(6)8/h2-3H2,1H3,(H,9,10).
What are the key properties of 3-methyl-4-oxoimidazolidine-1-carboxylic acid?
3-methyl-4-oxoimidazolidine-1-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of -0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxoimidazolidine-1-carboxylic acid is sourced from PubChem (CID 164513039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).