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

C9H13F3N2O3 — CID 64817278

IUPAC2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)NC1CCCC1C(=O)O
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)4-13-8(17)14-6-3-1-2-5(6)7(15)16/h5-6H,1-4H2,(H,15,16)(H2,13,14,17)
InChIKeyPMPVEMIRZUBQCX-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.10
Rot. Bonds3

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

2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 64817278) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID64817278
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)NC1CCCC1C(=O)O
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)4-13-8(17)14-6-3-1-2-5(6)7(15)16/h5-6H,1-4H2,(H,15,16)(H2,13,14,17)
InChIKeyPMPVEMIRZUBQCX-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 64817278) is 2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCC(F)(F)F)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is PMPVEMIRZUBQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)4-13-8(17)14-6-3-1-2-5(6)7(15)16/h5-6H,1-4H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 254.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).