2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid

C12H15F3N2O2 — CID 60839687

IUPAC2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2O2/c1-3-8(2)17(7-11(18)19)10-5-4-9(6-16-10)12(13,14)15/h4-6,8H,3,7H2,1-2H3,(H,18,19)
InChIKeyLUQYAAQGTATJCS-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.79
Rot. Bonds5

About 2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid

2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid (PubChem CID 60839687) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
PubChem CID60839687
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2O2/c1-3-8(2)17(7-11(18)19)10-5-4-9(6-16-10)12(13,14)15/h4-6,8H,3,7H2,1-2H3,(H,18,19)
InChIKeyLUQYAAQGTATJCS-UHFFFAOYSA-N
XLogP2.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid (CID 60839687) is 2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid is CCC(C)N(CC(=O)O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The InChIKey is LUQYAAQGTATJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-3-8(2)17(7-11(18)19)10-5-4-9(6-16-10)12(13,14)15/h4-6,8H,3,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid has a molecular weight of 276.26 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid is sourced from PubChem (CID 60839687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).