2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid

C10H18F3NO3 — CID 106706834

IUPAC2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid
SMILESCC(C)CC(CN)(COCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO3/c1-7(2)3-9(4-14,8(15)16)5-17-6-10(11,12)13/h7H,3-6,14H2,1-2H3,(H,15,16)
InChIKeySLXFFYQSAUJKKM-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.64
Rot. Bonds7

About 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid

2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid (PubChem CID 106706834) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid
PubChem CID106706834
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid
SMILESCC(C)CC(CN)(COCC(F)(F)F)C(=O)O
InChIInChI=1S/C10H18F3NO3/c1-7(2)3-9(4-14,8(15)16)5-17-6-10(11,12)13/h7H,3-6,14H2,1-2H3,(H,15,16)
InChIKeySLXFFYQSAUJKKM-UHFFFAOYSA-N
XLogP1.64
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid?
The IUPAC name of 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid (CID 106706834) is 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid is CC(C)CC(CN)(COCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid?
The InChIKey is SLXFFYQSAUJKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-7(2)3-9(4-14,8(15)16)5-17-6-10(11,12)13/h7H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid?
2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid is sourced from PubChem (CID 106706834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).