2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid

C10H14F3N3O2 — CID 64705655

IUPAC2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
SMILESCC(CC(C)(N)C(=O)O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2/c1-6(5-9(2,14)8(17)18)16-4-3-7(15-16)10(11,12)13/h3-4,6H,5,14H2,1-2H3,(H,17,18)
InChIKeyMSEIPJHEUYTXIP-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.65
Rot. Bonds4

About 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid

2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid (PubChem CID 64705655) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
PubChem CID64705655
Molecular FormulaC10H14F3N3O2
Molecular Weight265.24 g/mol
Exact Mass265.10
IUPAC Name2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
SMILESCC(CC(C)(N)C(=O)O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2/c1-6(5-9(2,14)8(17)18)16-4-3-7(15-16)10(11,12)13/h3-4,6H,5,14H2,1-2H3,(H,17,18)
InChIKeyMSEIPJHEUYTXIP-UHFFFAOYSA-N
XLogP1.65
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid?
The IUPAC name of 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid (CID 64705655) is 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid is CC(CC(C)(N)C(=O)O)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid?
The InChIKey is MSEIPJHEUYTXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-6(5-9(2,14)8(17)18)16-4-3-7(15-16)10(11,12)13/h3-4,6H,5,14H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid?
2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid has a molecular weight of 265.24 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid is sourced from PubChem (CID 64705655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).