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

C14H14F3NO3 — CID 66030146

IUPAC3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-3-1-2-8(6-10)12(19)18-11-5-4-9(7-11)13(20)21/h1-3,6,9,11H,4-5,7H2,(H,18,19)(H,20,21)
InChIKeyLMKDGDDEJJHGES-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.69
Rot. Bonds3

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

3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66030146) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66030146
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-3-1-2-8(6-10)12(19)18-11-5-4-9(7-11)13(20)21/h1-3,6,9,11H,4-5,7H2,(H,18,19)(H,20,21)
InChIKeyLMKDGDDEJJHGES-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675705
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120674975
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
cis-(1R,3S)-3-[(3-benzylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677215
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
cis-(1R,3S)-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106321029

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 66030146) is 3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is LMKDGDDEJJHGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)10-3-1-2-8(6-10)12(19)18-11-5-4-9(7-11)13(20)21/h1-3,6,9,11H,4-5,7H2,(H,18,19)(H,20,21).
What are the key properties of 3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid?
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 301.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).