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

C12H15F3N2O3 — CID 79216712

IUPAC4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NC(=O)N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)6-17(9-3-4-9)11(20)16-8-2-1-7(5-8)10(18)19/h1-2,7-9H,3-6H2,(H,16,20)(H,18,19)
InChIKeyUTASUCPIKZRVOC-UHFFFAOYSA-N
MW292.26 g/mol
LogP1.75
Rot. Bonds4

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

4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216712) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216712
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NC(=O)N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)6-17(9-3-4-9)11(20)16-8-2-1-7(5-8)10(18)19/h1-2,7-9H,3-6H2,(H,16,20)(H,18,19)
InChIKeyUTASUCPIKZRVOC-UHFFFAOYSA-N
XLogP1.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79216712) is 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is O=C(O)C1C=CC(NC(=O)N(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is UTASUCPIKZRVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c13-12(14,15)6-17(9-3-4-9)11(20)16-8-2-1-7(5-8)10(18)19/h1-2,7-9H,3-6H2,(H,16,20)(H,18,19).
What are the key properties of 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 292.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).