2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid

C9H14F3NO2 — CID 62070572

IUPAC2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESO=C(O)C(NCC(F)(F)F)C1CCCC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)5-13-7(8(14)15)6-3-1-2-4-6/h6-7,13H,1-5H2,(H,14,15)
InChIKeyXWBNRBNVGNBFOD-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.78
Rot. Bonds4

About 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid

2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid (PubChem CID 62070572) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid
PubChem CID62070572
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESO=C(O)C(NCC(F)(F)F)C1CCCC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)5-13-7(8(14)15)6-3-1-2-4-6/h6-7,13H,1-5H2,(H,14,15)
InChIKeyXWBNRBNVGNBFOD-UHFFFAOYSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid?
The IUPAC name of 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid (CID 62070572) is 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid?
The canonical SMILES for 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid is O=C(O)C(NCC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid?
The InChIKey is XWBNRBNVGNBFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)5-13-7(8(14)15)6-3-1-2-4-6/h6-7,13H,1-5H2,(H,14,15).
What are the key properties of 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid?
2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid has a molecular weight of 225.21 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)acetic acid is sourced from PubChem (CID 62070572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).