4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid

C10H12F3NO4 — CID 103206106

IUPAC4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(COCC(F)(F)F)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H12F3NO4/c11-10(12,13)5-18-4-8(15)14-7-2-1-6(3-7)9(16)17/h1-2,6-7H,3-5H2,(H,14,15)(H,16,17)
InChIKeyKMUGPNHWMMDMAF-UHFFFAOYSA-N
MW267.20 g/mol
LogP0.71
Rot. Bonds5

About 4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 103206106) has the molecular formula C10H12F3NO4 and a molecular weight of 267.20 g/mol. Its IUPAC name is 4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID103206106
Molecular FormulaC10H12F3NO4
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(COCC(F)(F)F)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H12F3NO4/c11-10(12,13)5-18-4-8(15)14-7-2-1-6(3-7)9(16)17/h1-2,6-7H,3-5H2,(H,14,15)(H,16,17)
InChIKeyKMUGPNHWMMDMAF-UHFFFAOYSA-N
XLogP0.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[2-(2,2,2-trifluoroethoxy)acetyl]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-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 103206106) is 4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid is O=C(COCC(F)(F)F)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is KMUGPNHWMMDMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4/c11-10(12,13)5-18-4-8(15)14-7-2-1-6(3-7)9(16)17/h1-2,6-7H,3-5H2,(H,14,15)(H,16,17).
What are the key properties of 4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 267.20 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 103206106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).