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

C6H10F3NO3 — CID 103238257

IUPAC3,3,3-trifluoro-2-[(2-hydroxyethylamino)methyl]propanoic acid
SMILESO=C(O)C(CNCCO)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)4(5(12)13)3-10-1-2-11/h4,10-11H,1-3H2,(H,12,13)
InChIKeyIFYNBTZXBFNGBR-UHFFFAOYSA-N
MW201.14 g/mol
LogP-0.17
Rot. Bonds5

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

3,3,3-trifluoro-2-[(2-hydroxyethylamino)methyl]propanoic acid (PubChem CID 103238257) 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)methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-hydroxyethylamino)methyl]propanoic acid
PubChem CID103238257
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name3,3,3-trifluoro-2-[(2-hydroxyethylamino)methyl]propanoic acid
SMILESO=C(O)C(CNCCO)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)4(5(12)13)3-10-1-2-11/h4,10-11H,1-3H2,(H,12,13)
InChIKeyIFYNBTZXBFNGBR-UHFFFAOYSA-N
XLogP-0.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-2-[(3-methylsulfonylpropylamino)methyl]propanoic acid
CID 103242080
3,3,3-trifluoro-2-[(2-thiomorpholin-4-ylethylamino)methyl]propanoic acid
CID 106325978
3,3,3-trifluoro-2-[(2-phenylsulfanylethylamino)methyl]propanoic acid
CID 103240857
3,3,3-trifluoro-2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]propanoic acid
CID 103251071
(2S)-2-hydroxy-3-(2-hydroxyethylamino)propanoic acid
CID 131101909
2-[(3-ethylpentan-3-ylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 103253838
3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid
CID 103263905
3,3,3-trifluoro-2-[[(4-methylcyclohexyl)methylamino]methyl]propanoic acid
CID 103250453
2-(trifluoromethyl)pentanoic acid
CID 20539748
3,3,3-trifluoro-2-[[(3-methylcyclopentyl)methylamino]methyl]propanoic acid
CID 107414113
3,3,3-trifluoro-2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]propanoic acid
CID 103243292
3,3,3-trifluoro-2-(sulfanylmethyl)propanoic acid
CID 15311141

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2-hydroxyethylamino)methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(2-hydroxyethylamino)methyl]propanoic acid (CID 103238257) is 3,3,3-trifluoro-2-[(2-hydroxyethylamino)methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-hydroxyethylamino)methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-hydroxyethylamino)methyl]propanoic acid is O=C(O)C(CNCCO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-hydroxyethylamino)methyl]propanoic acid?
The InChIKey is IFYNBTZXBFNGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c7-6(8,9)4(5(12)13)3-10-1-2-11/h4,10-11H,1-3H2,(H,12,13).
What are the key properties of 3,3,3-trifluoro-2-[(2-hydroxyethylamino)methyl]propanoic acid?
3,3,3-trifluoro-2-[(2-hydroxyethylamino)methyl]propanoic acid has a molecular weight of 201.14 g/mol, XLogP of -0.17, 5 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)methyl]propanoic acid is sourced from PubChem (CID 103238257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).