2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid

C10H16F3NO3 — CID 79795469

IUPAC2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCC(CC)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-4-6(5-2)7(15)14-9(3,8(16)17)10(11,12)13/h6H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyNFGCXHAQYUDYIN-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.94
Rot. Bonds5

About 2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid

2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79795469) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79795469
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCCC(CC)C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-4-6(5-2)7(15)14-9(3,8(16)17)10(11,12)13/h6H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyNFGCXHAQYUDYIN-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid (CID 79795469) is 2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid is CCC(CC)C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is NFGCXHAQYUDYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-4-6(5-2)7(15)14-9(3,8(16)17)10(11,12)13/h6H,4-5H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid?
2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutanoylamino)-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79795469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).