1-butyl-2-oxoimidazolidine-4-carboxylic acid

C8H14N2O3 — CID 54048507

IUPAC1-butyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCCCCN1CC(C(=O)O)NC1=O
InChIInChI=1S/C8H14N2O3/c1-2-3-4-10-5-6(7(11)12)9-8(10)13/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyLRFSZEQWNVTIOF-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.26
Rot. Bonds4

About 1-butyl-2-oxoimidazolidine-4-carboxylic acid

1-butyl-2-oxoimidazolidine-4-carboxylic acid (PubChem CID 54048507) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-butyl-2-oxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name1-butyl-2-oxoimidazolidine-4-carboxylic acid
PubChem CID54048507
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-butyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCCCCN1CC(C(=O)O)NC1=O
InChIInChI=1S/C8H14N2O3/c1-2-3-4-10-5-6(7(11)12)9-8(10)13/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeyLRFSZEQWNVTIOF-UHFFFAOYSA-N
XLogP0.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-butyl-2-oxoimidazolidine-4-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 1-butyl-2-oxoimidazolidine-4-carboxylic acid?
The IUPAC name of 1-butyl-2-oxoimidazolidine-4-carboxylic acid (CID 54048507) is 1-butyl-2-oxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for 1-butyl-2-oxoimidazolidine-4-carboxylic acid?
The canonical SMILES for 1-butyl-2-oxoimidazolidine-4-carboxylic acid is CCCCN1CC(C(=O)O)NC1=O.
What is the InChIKey of 1-butyl-2-oxoimidazolidine-4-carboxylic acid?
The InChIKey is LRFSZEQWNVTIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-3-4-10-5-6(7(11)12)9-8(10)13/h6H,2-5H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 1-butyl-2-oxoimidazolidine-4-carboxylic acid?
1-butyl-2-oxoimidazolidine-4-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-oxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 54048507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).