3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid

C8H14F3NO3 — CID 61490822

IUPAC3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
SMILESCN(CCOCC(F)(F)F)CCC(=O)O
InChIInChI=1S/C8H14F3NO3/c1-12(3-2-7(13)14)4-5-15-6-8(9,10)11/h2-6H2,1H3,(H,13,14)
InChIKeyWUAYWYCISCVUFS-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.97
Rot. Bonds7

About 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid

3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid (PubChem CID 61490822) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
PubChem CID61490822
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid
SMILESCN(CCOCC(F)(F)F)CCC(=O)O
InChIInChI=1S/C8H14F3NO3/c1-12(3-2-7(13)14)4-5-15-6-8(9,10)11/h2-6H2,1H3,(H,13,14)
InChIKeyWUAYWYCISCVUFS-UHFFFAOYSA-N
XLogP0.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Diethylamino)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 57824068
2-[Difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid
CID 51063041
2-[Difluoro-[fluoro-[2-(2-fluoroethoxy)ethyl]amino]methyl]-2,3,3,3-tetrafluoropropanoic acid
CID 57583608
2,2,2-Trifluoroethyl 3-(dipropylamino)propanoate
CID 59204021
2,2,2-Trifluoroethyl 3-(diethylamino)propanoate
CID 59204042
2-(Dipropylamino)ethyl 2,2,2-trifluoroacetate
CID 59204089
2,2,2-Trifluoroethyl 3-morpholin-4-ylpropanoate
CID 59855626
3-(3,5-Dimethylmorpholin-4-yl)-2,3,3-trifluoro-2-methylpropanoic acid
CID 129185128
Carboxymethyl-dimethyl-[3-(2,2,2-trifluoroacetyl)oxypropyl]azanium
CID 130266652
Carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium
CID 130266725
3-Morpholin-4-ylpropanoic acid;2,2,2-trifluoroacetic acid
CID 157135837
2-Carboxyethyl-dimethyl-[2-(4,4,5,5,5-pentafluoropentanoyloxy)ethyl]azanium
CID 158235629

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid (CID 61490822) is 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid is CN(CCOCC(F)(F)F)CCC(=O)O.
What is the InChIKey of 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid?
The InChIKey is WUAYWYCISCVUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-12(3-2-7(13)14)4-5-15-6-8(9,10)11/h2-6H2,1H3,(H,13,14).
What are the key properties of 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid?
3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid has a molecular weight of 229.20 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanoic acid is sourced from PubChem (CID 61490822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).