1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid

C10H11F6NO3 — CID 103309120

IUPAC1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6NO3/c11-9(12,13)5(10(14,15)16)6(18)17-8(7(19)20)3-1-2-4-8/h5H,1-4H2,(H,17,18)(H,19,20)
InChIKeyXNEAHSLMYPMMNJ-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.24
Rot. Bonds3

About 1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid

1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 103309120) has the molecular formula C10H11F6NO3 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID103309120
Molecular FormulaC10H11F6NO3
Molecular Weight307.19 g/mol
Exact Mass307.06
IUPAC Name1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6NO3/c11-9(12,13)5(10(14,15)16)6(18)17-8(7(19)20)3-1-2-4-8/h5H,1-4H2,(H,17,18)(H,19,20)
InChIKeyXNEAHSLMYPMMNJ-UHFFFAOYSA-N
XLogP2.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid
CID 103309204
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421
1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
1-[(2-amino-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 76894061
1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 106216317
1-(2-propylpentanoylamino)cyclopentane-1-carboxylic acid
CID 82984418
1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 43358914
1-(2-aminobutanoylamino)cyclohexane-1-carboxylic acid
CID 61158693
1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid
CID 115282657
1-[(4,4,4-trifluoro-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 120666261
1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620

Frequently Asked Questions

What is the IUPAC name of 1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid (CID 103309120) is 1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is XNEAHSLMYPMMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6NO3/c11-9(12,13)5(10(14,15)16)6(18)17-8(7(19)20)3-1-2-4-8/h5H,1-4H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid?
1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 307.19 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103309120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).