3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid

C10H15F3N2O3 — CID 79261458

IUPAC3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CNCC(F)(F)F)NC1CCC(C(=O)O)C1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)5-14-4-8(16)15-7-2-1-6(3-7)9(17)18/h6-7,14H,1-5H2,(H,15,16)(H,17,18)
InChIKeyQQXDEVZSOHKEIY-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.51
Rot. Bonds5

About 3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid

3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 79261458) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID79261458
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CNCC(F)(F)F)NC1CCC(C(=O)O)C1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)5-14-4-8(16)15-7-2-1-6(3-7)9(17)18/h6-7,14H,1-5H2,(H,15,16)(H,17,18)
InChIKeyQQXDEVZSOHKEIY-UHFFFAOYSA-N
XLogP0.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid (CID 79261458) is 3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(CNCC(F)(F)F)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is QQXDEVZSOHKEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)5-14-4-8(16)15-7-2-1-6(3-7)9(17)18/h6-7,14H,1-5H2,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79261458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).