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

C5H10FNO2 — CID 88912078

IUPAC2-(aminomethyl)-3-fluoro-2-methylpropanoic acid
SMILESCC(CN)(CF)C(=O)O
InChIInChI=1S/C5H10FNO2/c1-5(2-6,3-7)4(8)9/h2-3,7H2,1H3,(H,8,9)
InChIKeyIYULEYAYRZRSGQ-UHFFFAOYSA-N
MW135.14 g/mol
LogP0.01
Rot. Bonds3

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

2-(aminomethyl)-3-fluoro-2-methylpropanoic acid (PubChem CID 88912078) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is 2-(aminomethyl)-3-fluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-fluoro-2-methylpropanoic acid
PubChem CID88912078
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name2-(aminomethyl)-3-fluoro-2-methylpropanoic acid
SMILESCC(CN)(CF)C(=O)O
InChIInChI=1S/C5H10FNO2/c1-5(2-6,3-7)4(8)9/h2-3,7H2,1H3,(H,8,9)
InChIKeyIYULEYAYRZRSGQ-UHFFFAOYSA-N
XLogP0.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-fluoro-2-methylpropanoic acid?
The IUPAC name of 2-(aminomethyl)-3-fluoro-2-methylpropanoic acid (CID 88912078) is 2-(aminomethyl)-3-fluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-fluoro-2-methylpropanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-fluoro-2-methylpropanoic acid is CC(CN)(CF)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-fluoro-2-methylpropanoic acid?
The InChIKey is IYULEYAYRZRSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-5(2-6,3-7)4(8)9/h2-3,7H2,1H3,(H,8,9).
What are the key properties of 2-(aminomethyl)-3-fluoro-2-methylpropanoic acid?
2-(aminomethyl)-3-fluoro-2-methylpropanoic acid has a molecular weight of 135.14 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-fluoro-2-methylpropanoic acid is sourced from PubChem (CID 88912078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).