2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid

C11H14F3N3O3 — CID 60830528

IUPAC2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O3/c1-7(2)17(6-10(19)20)9(18)5-16-4-3-8(15-16)11(12,13)14/h3-4,7H,5-6H2,1-2H3,(H,19,20)
InChIKeyDUQHRVXKEQMZSE-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.22
Rot. Bonds5

About 2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid

2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid (PubChem CID 60830528) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
PubChem CID60830528
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O3/c1-7(2)17(6-10(19)20)9(18)5-16-4-3-8(15-16)11(12,13)14/h3-4,7H,5-6H2,1-2H3,(H,19,20)
InChIKeyDUQHRVXKEQMZSE-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid (CID 60830528) is 2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid is CC(C)N(CC(=O)O)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
The InChIKey is DUQHRVXKEQMZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-7(2)17(6-10(19)20)9(18)5-16-4-3-8(15-16)11(12,13)14/h3-4,7H,5-6H2,1-2H3,(H,19,20).
What are the key properties of 2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid has a molecular weight of 293.25 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 60830528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).