1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid

C9H13F3N2O3 — CID 16794178

IUPAC1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)NC1(C(=O)O)CCCC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-7(17)14-8(6(15)16)3-1-2-4-8/h1-5H2,(H,15,16)(H2,13,14,17)
InChIKeySAFTXLLTGRKZMI-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.25
Rot. Bonds3

About 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid

1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 16794178) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID16794178
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)NC1(C(=O)O)CCCC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-7(17)14-8(6(15)16)3-1-2-4-8/h1-5H2,(H,15,16)(H2,13,14,17)
InChIKeySAFTXLLTGRKZMI-UHFFFAOYSA-N
XLogP1.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic 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 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 16794178) is 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCC(F)(F)F)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is SAFTXLLTGRKZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-7(17)14-8(6(15)16)3-1-2-4-8/h1-5H2,(H,15,16)(H2,13,14,17).
What are the key properties of 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 254.21 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 16794178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).