2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H14F3NO3 — CID 79257729

IUPAC2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)CC1C=CCC1
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)7-15(6-10(17)18)9(16)5-8-3-1-2-4-8/h1,3,8H,2,4-7H2,(H,17,18)
InChIKeyJUCIGLQTBKIMEN-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.82
Rot. Bonds5

About 2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257729) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257729
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)CC1C=CCC1
InChIInChI=1S/C11H14F3NO3/c12-11(13,14)7-15(6-10(17)18)9(16)5-8-3-1-2-4-8/h1,3,8H,2,4-7H2,(H,17,18)
InChIKeyJUCIGLQTBKIMEN-UHFFFAOYSA-N
XLogP1.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-Oxo-4-[3-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyrrolidin-1-yl]acetic acid
CID 70944568
2-[Cyclohex-3-ene-1-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258212
2-[Cyclopent-3-ene-1-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258538
2-[Bicyclo[2.2.1]hept-5-ene-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261202
2-cyclopent-2-en-1-yl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107482547
2-cyclopent-2-en-1-yl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113339807
2-[(2-Cyclopent-2-en-1-ylacetyl)amino]-4,4,4-trifluorobutanoic acid
CID 121642662
2-[(2-Cyclopent-2-en-1-ylacetyl)amino]-4,4-difluorobutanoic acid
CID 121652006
2-[(2-Cyclopent-2-en-1-ylacetyl)amino]-3-fluoropropanoic acid
CID 121946181
1-(2-Cyclopent-2-en-1-ylacetyl)-4,4-difluoropiperidine-2-carboxylic acid
CID 155956566
2-[(2-Cyclopent-2-en-1-ylacetyl)-methylamino]acetic acid
CID 24689598
2-[Cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid
CID 24696987

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257729) is 2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)CC1C=CCC1.
What is the InChIKey of 2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is JUCIGLQTBKIMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c12-11(13,14)7-15(6-10(17)18)9(16)5-8-3-1-2-4-8/h1,3,8H,2,4-7H2,(H,17,18).
What are the key properties of 2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 265.23 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopent-2-en-1-ylacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).