2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

C10H17F3N2O3 — CID 79788680

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(C)(C)NC(=O)CNC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-8(2,3)15-6(16)5-14-9(4,7(17)18)10(11,12)13/h14H,5H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyNHJQCCXSHARHOJ-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.90
Rot. Bonds4

About 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79788680) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79788680
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(C)(C)NC(=O)CNC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-8(2,3)15-6(16)5-14-9(4,7(17)18)10(11,12)13/h14H,5H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyNHJQCCXSHARHOJ-UHFFFAOYSA-N
XLogP0.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79788680) is 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is CC(C)(C)NC(=O)CNC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is NHJQCCXSHARHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-8(2,3)15-6(16)5-14-9(4,7(17)18)10(11,12)13/h14H,5H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 270.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79788680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).