2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid

C6H10F3NO2 — CID 43538586

IUPAC2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid
SMILESCC(CNCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO2/c1-4(5(11)12)2-10-3-6(7,8)9/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyUQXGGYZWQBKSRB-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.86
Rot. Bonds4

About 2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid

2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid (PubChem CID 43538586) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid
PubChem CID43538586
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid
SMILESCC(CNCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO2/c1-4(5(11)12)2-10-3-6(7,8)9/h4,10H,2-3H2,1H3,(H,11,12)
InChIKeyUQXGGYZWQBKSRB-UHFFFAOYSA-N
XLogP0.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid (CID 43538586) is 2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid is CC(CNCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid?
The InChIKey is UQXGGYZWQBKSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-4(5(11)12)2-10-3-6(7,8)9/h4,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid?
2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid has a molecular weight of 185.14 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,2-trifluoroethylamino)propanoic acid is sourced from PubChem (CID 43538586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).