3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid

C11H19F3N2O3 — CID 79260830

IUPAC3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-10(2,3)16(5-4-9(18)19)8(17)6-15-7-11(12,13)14/h15H,4-7H2,1-3H3,(H,18,19)
InChIKeySZINMZGGXOFARA-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.24
Rot. Bonds6

About 3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid

3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid (PubChem CID 79260830) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid
PubChem CID79260830
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-10(2,3)16(5-4-9(18)19)8(17)6-15-7-11(12,13)14/h15H,4-7H2,1-3H3,(H,18,19)
InChIKeySZINMZGGXOFARA-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid (CID 79260830) is 3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid is CC(C)(C)N(CCC(=O)O)C(=O)CNCC(F)(F)F.
What is the InChIKey of 3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid?
The InChIKey is SZINMZGGXOFARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-10(2,3)16(5-4-9(18)19)8(17)6-15-7-11(12,13)14/h15H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid?
3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid has a molecular weight of 284.28 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanoic acid is sourced from PubChem (CID 79260830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).