5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid

C9H14FN3O3 — CID 122454002

IUPAC5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCC(F)C1N1CCNC1=O
InChIInChI=1S/C9H14FN3O3/c10-6-4-11-3-5(8(14)15)7(6)13-2-1-12-9(13)16/h5-7,11H,1-4H2,(H,12,16)(H,14,15)
InChIKeyOZSUAIZDRKZYCF-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.98
Rot. Bonds2

About 5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid

5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid (PubChem CID 122454002) has the molecular formula C9H14FN3O3 and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid
PubChem CID122454002
Molecular FormulaC9H14FN3O3
Molecular Weight231.23 g/mol
Exact Mass231.10
IUPAC Name5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCC(F)C1N1CCNC1=O
InChIInChI=1S/C9H14FN3O3/c10-6-4-11-3-5(8(14)15)7(6)13-2-1-12-9(13)16/h5-7,11H,1-4H2,(H,12,16)(H,14,15)
InChIKeyOZSUAIZDRKZYCF-UHFFFAOYSA-N
XLogP-0.98
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-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 5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid?
The IUPAC name of 5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid (CID 122454002) is 5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid is O=C(O)C1CNCC(F)C1N1CCNC1=O.
What is the InChIKey of 5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid?
The InChIKey is OZSUAIZDRKZYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O3/c10-6-4-11-3-5(8(14)15)7(6)13-2-1-12-9(13)16/h5-7,11H,1-4H2,(H,12,16)(H,14,15).
What are the key properties of 5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid?
5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid has a molecular weight of 231.23 g/mol, XLogP of -0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122454002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).