4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

C10H13F3N2O3 — CID 79216489

IUPAC4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H13F3N2O3/c1-15(5-10(11,12)13)9(18)14-7-3-2-6(4-7)8(16)17/h2-3,6-7H,4-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyWMEKNFACDXKWFN-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.22
Rot. Bonds3

About 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216489) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216489
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H13F3N2O3/c1-15(5-10(11,12)13)9(18)14-7-3-2-6(4-7)8(16)17/h2-3,6-7H,4-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyWMEKNFACDXKWFN-UHFFFAOYSA-N
XLogP1.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]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-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79216489) is 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is CN(CC(F)(F)F)C(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is WMEKNFACDXKWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-15(5-10(11,12)13)9(18)14-7-3-2-6(4-7)8(16)17/h2-3,6-7H,4-5H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 266.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).