2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid

C14H15F3N2O3 — CID 119218100

IUPAC2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H15F3N2O3/c1-8-9(3-4-10(18-8)14(15,16)17)12(22)19-13(5-2-6-13)7-11(20)21/h3-4H,2,5-7H2,1H3,(H,19,22)(H,20,21)
InChIKeyHFMBPXRBXHHCQH-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.54
Rot. Bonds4

About 2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid

2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid (PubChem CID 119218100) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid
PubChem CID119218100
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C14H15F3N2O3/c1-8-9(3-4-10(18-8)14(15,16)17)12(22)19-13(5-2-6-13)7-11(20)21/h3-4H,2,5-7H2,1H3,(H,19,22)(H,20,21)
InChIKeyHFMBPXRBXHHCQH-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid (CID 119218100) is 2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid is Cc1nc(C(F)(F)F)ccc1C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid?
The InChIKey is HFMBPXRBXHHCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-8-9(3-4-10(18-8)14(15,16)17)12(22)19-13(5-2-6-13)7-11(20)21/h3-4H,2,5-7H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid has a molecular weight of 316.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119218100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).