3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid

C10H18F3NO2 — CID 64567354

IUPAC3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(2,3)14(6-4-8(15)16)7-5-10(11,12)13/h4-7H2,1-3H3,(H,15,16)
InChIKeyMYTXGUUKLMYUJK-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.51
Rot. Bonds5

About 3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid

3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid (PubChem CID 64567354) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid
PubChem CID64567354
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(2,3)14(6-4-8(15)16)7-5-10(11,12)13/h4-7H2,1-3H3,(H,15,16)
InChIKeyMYTXGUUKLMYUJK-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid (CID 64567354) is 3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid is CC(C)(C)N(CCC(=O)O)CCC(F)(F)F.
What is the InChIKey of 3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid?
The InChIKey is MYTXGUUKLMYUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-9(2,3)14(6-4-8(15)16)7-5-10(11,12)13/h4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid?
3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(3,3,3-trifluoropropyl)amino]propanoic acid is sourced from PubChem (CID 64567354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).