4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid

C10H14FNO3 — CID 130561872

IUPAC4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(C)(F)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H14FNO3/c1-10(2,11)9(15)12-7-4-3-6(5-7)8(13)14/h3-4,6-7H,5H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyROVIAOBGKVIWGW-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.88
Rot. Bonds3

About 4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid

4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 130561872) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID130561872
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(C)(F)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H14FNO3/c1-10(2,11)9(15)12-7-4-3-6(5-7)8(13)14/h3-4,6-7H,5H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyROVIAOBGKVIWGW-UHFFFAOYSA-N
XLogP0.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-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 4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid (CID 130561872) is 4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid is CC(C)(F)C(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is ROVIAOBGKVIWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-10(2,11)9(15)12-7-4-3-6(5-7)8(13)14/h3-4,6-7H,5H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid?
4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 215.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-2-methylpropanoyl)amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 130561872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).