2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3,3,3-trifluoropropanoic acid

C10H17F3N2O3 — CID 103260237

IUPAC2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3,3,3-trifluoropropanoic acid
SMILESCC(C)(C)NC(=O)CNCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-9(2,3)15-7(16)5-14-4-6(8(17)18)10(11,12)13/h6,14H,4-5H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGPFCSHOSCRNBSI-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.75
Rot. Bonds5

About 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3,3,3-trifluoropropanoic acid

2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 103260237) 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]methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3,3,3-trifluoropropanoic acid
PubChem CID103260237
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3,3,3-trifluoropropanoic acid
SMILESCC(C)(C)NC(=O)CNCC(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-9(2,3)15-7(16)5-14-4-6(8(17)18)10(11,12)13/h6,14H,4-5H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGPFCSHOSCRNBSI-UHFFFAOYSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.75
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]methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3,3,3-trifluoropropanoic acid (CID 103260237) is 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3,3,3-trifluoropropanoic acid is CC(C)(C)NC(=O)CNCC(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is GPFCSHOSCRNBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-9(2,3)15-7(16)5-14-4-6(8(17)18)10(11,12)13/h6,14H,4-5H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3,3,3-trifluoropropanoic acid?
2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 270.25 g/mol, XLogP of 0.75, 5 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]methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 103260237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).