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

C10H16F3NO3 — CID 60827462

IUPAC3-[tert-butyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-9(2,3)14(5-4-8(16)17)7(15)6-10(11,12)13/h4-6H2,1-3H3,(H,16,17)
InChIKeyPGFRIMWJOVDXEV-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.04
Rot. Bonds4

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

3-[tert-butyl(3,3,3-trifluoropropanoyl)amino]propanoic acid (PubChem CID 60827462) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-[tert-butyl(3,3,3-trifluoropropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
PubChem CID60827462
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3-[tert-butyl(3,3,3-trifluoropropanoyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)CC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-9(2,3)14(5-4-8(16)17)7(15)6-10(11,12)13/h4-6H2,1-3H3,(H,16,17)
InChIKeyPGFRIMWJOVDXEV-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.04
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-trifluoropropanoyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl(3,3,3-trifluoropropanoyl)amino]propanoic acid (CID 60827462) is 3-[tert-butyl(3,3,3-trifluoropropanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl(3,3,3-trifluoropropanoyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl(3,3,3-trifluoropropanoyl)amino]propanoic acid is CC(C)(C)N(CCC(=O)O)C(=O)CC(F)(F)F.
What is the InChIKey of 3-[tert-butyl(3,3,3-trifluoropropanoyl)amino]propanoic acid?
The InChIKey is PGFRIMWJOVDXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-9(2,3)14(5-4-8(16)17)7(15)6-10(11,12)13/h4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-[tert-butyl(3,3,3-trifluoropropanoyl)amino]propanoic acid?
3-[tert-butyl(3,3,3-trifluoropropanoyl)amino]propanoic acid has a molecular weight of 255.24 g/mol, XLogP of 2.04, 4 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-trifluoropropanoyl)amino]propanoic acid is sourced from PubChem (CID 60827462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).