4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

C11H15F3N2O3 — CID 79210338

IUPAC4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCN(CCC(F)(F)F)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C11H15F3N2O3/c1-16(5-4-11(12,13)14)10(19)15-8-3-2-7(6-8)9(17)18/h2-3,7-8H,4-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyFQPRXRAKVXISTP-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.61
Rot. Bonds4

About 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79210338) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79210338
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESCN(CCC(F)(F)F)C(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C11H15F3N2O3/c1-16(5-4-11(12,13)14)10(19)15-8-3-2-7(6-8)9(17)18/h2-3,7-8H,4-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyFQPRXRAKVXISTP-UHFFFAOYSA-N
XLogP1.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.61
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-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79210338) is 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is CN(CCC(F)(F)F)C(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is FQPRXRAKVXISTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-16(5-4-11(12,13)14)10(19)15-8-3-2-7(6-8)9(17)18/h2-3,7-8H,4-6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 280.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79210338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).