3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid

C6H10F3NO3 — CID 79789891

IUPAC3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid
SMILESCC(NCCO)(C(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-5(4(12)13,6(7,8)9)10-2-3-11/h10-11H,2-3H2,1H3,(H,12,13)
InChIKeyAXVOVQOYMOIXKC-UHFFFAOYSA-N
MW201.14 g/mol
LogP-0.03
Rot. Bonds4

About 3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid

3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid (PubChem CID 79789891) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid
PubChem CID79789891
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid
SMILESCC(NCCO)(C(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-5(4(12)13,6(7,8)9)10-2-3-11/h10-11H,2-3H2,1H3,(H,12,13)
InChIKeyAXVOVQOYMOIXKC-UHFFFAOYSA-N
XLogP-0.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid (CID 79789891) is 3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid is CC(NCCO)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid?
The InChIKey is AXVOVQOYMOIXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-5(4(12)13,6(7,8)9)10-2-3-11/h10-11H,2-3H2,1H3,(H,12,13).
What are the key properties of 3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid?
3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid has a molecular weight of 201.14 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(2-hydroxyethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 79789891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).