2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid

C9H16F3NO3 — CID 129013060

IUPAC2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid
SMILESCN(CCOC(C)(C)C(F)(F)F)CC(=O)O
InChIInChI=1S/C9H16F3NO3/c1-8(2,9(10,11)12)16-5-4-13(3)6-7(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyPUTLLKIWWOMNRT-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.36
Rot. Bonds6

About 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid

2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid (PubChem CID 129013060) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid
PubChem CID129013060
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid
SMILESCN(CCOC(C)(C)C(F)(F)F)CC(=O)O
InChIInChI=1S/C9H16F3NO3/c1-8(2,9(10,11)12)16-5-4-13(3)6-7(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyPUTLLKIWWOMNRT-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid (CID 129013060) is 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid is CN(CCOC(C)(C)C(F)(F)F)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid?
The InChIKey is PUTLLKIWWOMNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-8(2,9(10,11)12)16-5-4-13(3)6-7(14)15/h4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid?
2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid has a molecular weight of 243.22 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid is sourced from PubChem (CID 129013060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).