3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanoic acid

C11H20F3NO3 — CID 106115810

IUPAC3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanoic acid
SMILESCCCC(CCO)CNCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-2-3-8(4-5-16)6-15-7-9(10(17)18)11(12,13)14/h8-9,15-16H,2-7H2,1H3,(H,17,18)
InChIKeyPWRQJDYVMSHWQD-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.64
Rot. Bonds9

About 3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanoic acid

3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanoic acid (PubChem CID 106115810) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanoic acid
PubChem CID106115810
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Name3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanoic acid
SMILESCCCC(CCO)CNCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-2-3-8(4-5-16)6-15-7-9(10(17)18)11(12,13)14/h8-9,15-16H,2-7H2,1H3,(H,17,18)
InChIKeyPWRQJDYVMSHWQD-UHFFFAOYSA-N
XLogP1.64
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanoic acid (CID 106115810) is 3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanoic acid is CCCC(CCO)CNCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanoic acid?
The InChIKey is PWRQJDYVMSHWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-2-3-8(4-5-16)6-15-7-9(10(17)18)11(12,13)14/h8-9,15-16H,2-7H2,1H3,(H,17,18).
What are the key properties of 3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[2-(2-hydroxyethyl)pentylamino]methyl]propanoic acid has a molecular weight of 271.28 g/mol, XLogP of 1.64, 9 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-(2-hydroxyethyl)pentylamino]methyl]propanoic acid is sourced from PubChem (CID 106115810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).