2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid

C10H15F3N2O3 — CID 64701412

IUPAC2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-8(18)15-9(5-7(16)17)3-1-2-4-9/h1-6H2,(H,16,17)(H2,14,15,18)
InChIKeyBQMJQMSIEMGPBM-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.64
Rot. Bonds4

About 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid

2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 64701412) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID64701412
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-8(18)15-9(5-7(16)17)3-1-2-4-9/h1-6H2,(H,16,17)(H2,14,15,18)
InChIKeyBQMJQMSIEMGPBM-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]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-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid (CID 64701412) is 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)NCC(F)(F)F)CCCC1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is BQMJQMSIEMGPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-8(18)15-9(5-7(16)17)3-1-2-4-9/h1-6H2,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid has a molecular weight of 268.23 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64701412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).