2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid

C7H12F3NO2 — CID 2777529

IUPAC2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid
SMILESCC(C)CC(N)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(2)3-6(11,5(12)13)7(8,9)10/h4H,3,11H2,1-2H3,(H,12,13)
InChIKeyLYDLDBAPMHIAHL-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.38
Rot. Bonds3

About 2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid

2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid (PubChem CID 2777529) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid
PubChem CID2777529
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid
SMILESCC(C)CC(N)(C(=O)O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(2)3-6(11,5(12)13)7(8,9)10/h4H,3,11H2,1-2H3,(H,12,13)
InChIKeyLYDLDBAPMHIAHL-UHFFFAOYSA-N
XLogP1.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid?
The IUPAC name of 2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid (CID 2777529) is 2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for 2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid?
The canonical SMILES for 2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid is CC(C)CC(N)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid?
The InChIKey is LYDLDBAPMHIAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-4(2)3-6(11,5(12)13)7(8,9)10/h4H,3,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid?
2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid has a molecular weight of 199.17 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-2-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 2777529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).