2-(aminomethyl)-2-fluoro-3-methylbutanoic acid

C6H12FNO2 — CID 83855188

IUPAC2-(aminomethyl)-2-fluoro-3-methylbutanoic acid
SMILESCC(C)C(F)(CN)C(=O)O
InChIInChI=1S/C6H12FNO2/c1-4(2)6(7,3-8)5(9)10/h4H,3,8H2,1-2H3,(H,9,10)
InChIKeyFGHQOHLWJCERHL-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.39
Rot. Bonds3

About 2-(aminomethyl)-2-fluoro-3-methylbutanoic acid

2-(aminomethyl)-2-fluoro-3-methylbutanoic acid (PubChem CID 83855188) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is 2-(aminomethyl)-2-fluoro-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-fluoro-3-methylbutanoic acid
PubChem CID83855188
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name2-(aminomethyl)-2-fluoro-3-methylbutanoic acid
SMILESCC(C)C(F)(CN)C(=O)O
InChIInChI=1S/C6H12FNO2/c1-4(2)6(7,3-8)5(9)10/h4H,3,8H2,1-2H3,(H,9,10)
InChIKeyFGHQOHLWJCERHL-UHFFFAOYSA-N
XLogP0.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-fluoro-3-methylbutanoic acid?
The IUPAC name of 2-(aminomethyl)-2-fluoro-3-methylbutanoic acid (CID 83855188) is 2-(aminomethyl)-2-fluoro-3-methylbutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-fluoro-3-methylbutanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-fluoro-3-methylbutanoic acid is CC(C)C(F)(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-fluoro-3-methylbutanoic acid?
The InChIKey is FGHQOHLWJCERHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-4(2)6(7,3-8)5(9)10/h4H,3,8H2,1-2H3,(H,9,10).
What are the key properties of 2-(aminomethyl)-2-fluoro-3-methylbutanoic acid?
2-(aminomethyl)-2-fluoro-3-methylbutanoic acid has a molecular weight of 149.16 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-fluoro-3-methylbutanoic acid is sourced from PubChem (CID 83855188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).