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

C8H14F3NO2 — CID 64564877

IUPAC2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanoic acid
SMILESCC(CN(C)CCC(F)(F)F)C(=O)O
InChIInChI=1S/C8H14F3NO2/c1-6(7(13)14)5-12(2)4-3-8(9,10)11/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyUHKRTMOTCYUHNQ-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.59
Rot. Bonds5

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

2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanoic acid (PubChem CID 64564877) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanoic acid
PubChem CID64564877
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanoic acid
SMILESCC(CN(C)CCC(F)(F)F)C(=O)O
InChIInChI=1S/C8H14F3NO2/c1-6(7(13)14)5-12(2)4-3-8(9,10)11/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyUHKRTMOTCYUHNQ-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanoic acid (CID 64564877) is 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanoic acid is CC(CN(C)CCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanoic acid?
The InChIKey is UHKRTMOTCYUHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-6(7(13)14)5-12(2)4-3-8(9,10)11/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanoic acid?
2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanoic acid has a molecular weight of 213.20 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(3,3,3-trifluoropropyl)amino]propanoic acid is sourced from PubChem (CID 64564877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).