1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid

C11H15F3N2O3 — CID 106216317

IUPAC1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)10(5-6-10)16-8(19)15-9(7(17)18)3-1-2-4-9/h1-6H2,(H,17,18)(H2,15,16,19)
InChIKeyBGYMFHLNTLUQLI-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.78
Rot. Bonds3

About 1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid

1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106216317) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106216317
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)10(5-6-10)16-8(19)15-9(7(17)18)3-1-2-4-9/h1-6H2,(H,17,18)(H2,15,16,19)
InChIKeyBGYMFHLNTLUQLI-UHFFFAOYSA-N
XLogP1.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid
CID 106216540
1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 103309120
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162026
1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 114111630
1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463181
1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 106211177
1-(2-cyclobutylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113364347
1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65463687
1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61402688
1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61181425
1-(piperidin-1-ylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 83020129
6-oxo-6-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]hexanoic acid
CID 106213963

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid (CID 106216317) is 1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)NC1(C(F)(F)F)CC1.
What is the InChIKey of 1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is BGYMFHLNTLUQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)10(5-6-10)16-8(19)15-9(7(17)18)3-1-2-4-9/h1-6H2,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid?
1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 280.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106216317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).