3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid

C9H13F3N2O3 — CID 66032016

IUPAC3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)NC1CCC(C(=O)O)C1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)4-13-8(17)14-6-2-1-5(3-6)7(15)16/h5-6H,1-4H2,(H,15,16)(H2,13,14,17)
InChIKeyAXJFJNYORCYKLJ-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.10
Rot. Bonds3

About 3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid

3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 66032016) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID66032016
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)NC1CCC(C(=O)O)C1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)4-13-8(17)14-6-2-1-5(3-6)7(15)16/h5-6H,1-4H2,(H,15,16)(H2,13,14,17)
InChIKeyAXJFJNYORCYKLJ-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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Related Compounds

cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
cis-(1R,3S)-3-(4,4,4-trifluorobutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173658
3-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463220
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
cis-(1R,3S)-3-[(2-ethyl-2-methylsulfanylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320429
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
cis-(1R,3S)-3-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320217
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55175732
cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid
CID 120676611
1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225883
cis-(1R,3S)-3-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106320505

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 66032016) is 3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCC(F)(F)F)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is AXJFJNYORCYKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)4-13-8(17)14-6-2-1-5(3-6)7(15)16/h5-6H,1-4H2,(H,15,16)(H2,13,14,17).
What are the key properties of 3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid?
3-(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 3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).