4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid

C11H20F3NO2 — CID 63074207

IUPAC4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)CN(C(C)C)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-7(2)6-15(8(3)4)9(5-10(16)17)11(12,13)14/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyGZOIUJIIKVNGFF-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.76
Rot. Bonds6

About 4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid

4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid (PubChem CID 63074207) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid
PubChem CID63074207
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)CN(C(C)C)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-7(2)6-15(8(3)4)9(5-10(16)17)11(12,13)14/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyGZOIUJIIKVNGFF-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid (CID 63074207) is 4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid is CC(C)CN(C(C)C)C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid?
The InChIKey is GZOIUJIIKVNGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-7(2)6-15(8(3)4)9(5-10(16)17)11(12,13)14/h7-9H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid?
4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid has a molecular weight of 255.28 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[2-methylpropyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 63074207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).