2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid

C10H14F3NO3 — CID 79258545

IUPAC2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)C1CCCC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)6-14(5-8(15)16)9(17)7-3-1-2-4-7/h7H,1-6H2,(H,15,16)
InChIKeyXFHNLBIIIHUWRD-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.65
Rot. Bonds4

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

2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258545) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258545
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)C1CCCC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)6-14(5-8(15)16)9(17)7-3-1-2-4-7/h7H,1-6H2,(H,15,16)
InChIKeyXFHNLBIIIHUWRD-UHFFFAOYSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258545) is 2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)C1CCCC1.
What is the InChIKey of 2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is XFHNLBIIIHUWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)6-14(5-8(15)16)9(17)7-3-1-2-4-7/h7H,1-6H2,(H,15,16).
What are the key properties of 2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 253.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentanecarbonyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).