1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid

C14H15F3N2O3 — CID 166277022

IUPAC1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cccc(C(F)(F)F)n1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)10-5-3-4-9(18-10)8-11(20)19-13(12(21)22)6-1-2-7-13/h3-5H,1-2,6-8H2,(H,19,20)(H,21,22)
InChIKeyFWFKNRZNPPDWBC-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.16
Rot. Bonds4

About 1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 166277022) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID166277022
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cccc(C(F)(F)F)n1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)10-5-3-4-9(18-10)8-11(20)19-13(12(21)22)6-1-2-7-13/h3-5H,1-2,6-8H2,(H,19,20)(H,21,22)
InChIKeyFWFKNRZNPPDWBC-UHFFFAOYSA-N
XLogP2.16
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 153387632
N-[1-(1-hydroxyethyl)cyclopropyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 138024052
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513
1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 166241496
1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329516
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
1-[[2-(2,3-difluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538773
1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75483399
1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 107338192
1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 71757293
1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43329574
1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 115910187

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid (CID 166277022) is 1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cc1cccc(C(F)(F)F)n1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FWFKNRZNPPDWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c15-14(16,17)10-5-3-4-9(18-10)8-11(20)19-13(12(21)22)6-1-2-7-13/h3-5H,1-2,6-8H2,(H,19,20)(H,21,22).
What are the key properties of 1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 316.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 166277022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).