1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid

C14H15F3N2O3 — CID 166241496

IUPAC1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cnccc1C(F)(F)F)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)10-3-6-18-8-9(10)7-11(20)19-13(12(21)22)4-1-2-5-13/h3,6,8H,1-2,4-5,7H2,(H,19,20)(H,21,22)
InChIKeyDXDGSESXJYLACU-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.16
Rot. Bonds4

About 1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 166241496) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID166241496
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cnccc1C(F)(F)F)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)10-3-6-18-8-9(10)7-11(20)19-13(12(21)22)4-1-2-5-13/h3,6,8H,1-2,4-5,7H2,(H,19,20)(H,21,22)
InChIKeyDXDGSESXJYLACU-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-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75483399
1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 166277022
N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 122153691
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 115009240
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 138011362
1-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 79139388
1-[[2-(2,3-difluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538773
1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176767
1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 119061410
1-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120666403
1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 107338192

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid (CID 166241496) is 1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cc1cnccc1C(F)(F)F)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is DXDGSESXJYLACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c15-14(16,17)10-3-6-18-8-9(10)7-11(20)19-13(12(21)22)4-1-2-5-13/h3,6,8H,1-2,4-5,7H2,(H,19,20)(H,21,22).
What are the key properties of 1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-[4-(trifluoromethyl)-3-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-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 166241496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).