2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H18F3NO2 — CID 79265879

IUPAC2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC1CCC(N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-2-8-3-4-9(5-8)15(6-10(16)17)7-11(12,13)14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyQXEWVHLNQQYHKO-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.51
Rot. Bonds5

About 2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265879) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265879
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC1CCC(N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-2-8-3-4-9(5-8)15(6-10(16)17)7-11(12,13)14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyQXEWVHLNQQYHKO-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265879) is 2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCC1CCC(N(CC(=O)O)CC(F)(F)F)C1.
What is the InChIKey of 2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is QXEWVHLNQQYHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-2-8-3-4-9(5-8)15(6-10(16)17)7-11(12,13)14/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylcyclopentyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).