1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid

C14H14F3NO3 — CID 43329574

IUPAC1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-5-3-4-9(8-10)11(19)18-13(12(20)21)6-1-2-7-13/h3-5,8H,1-2,6-7H2,(H,18,19)(H,20,21)
InChIKeyOTUYTGUXWNVRMZ-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.83
Rot. Bonds3

About 1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid

1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43329574) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43329574
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-5-3-4-9(8-10)11(19)18-13(12(20)21)6-1-2-7-13/h3-5,8H,1-2,6-7H2,(H,18,19)(H,20,21)
InChIKeyOTUYTGUXWNVRMZ-UHFFFAOYSA-N
XLogP2.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620
N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide
CID 60592180
1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65451385
1-[[4-(3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 123239957
1-[[3-(dimethylcarbamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 119350549
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
1-[[3-(furan-3-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120512717
1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 17418883
1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964
1-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81158696
1-[(3,4-dihydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 67604335
1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 86271032

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 43329574) is 1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is OTUYTGUXWNVRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)10-5-3-4-9(8-10)11(19)18-13(12(20)21)6-1-2-7-13/h3-5,8H,1-2,6-7H2,(H,18,19)(H,20,21).
What are the key properties of 1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 301.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43329574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).