2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid

C11H19F3N2O3 — CID 65264173

IUPAC2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
SMILESCC(C)(NC(=O)NCCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-9(2,7(17)18)10(3,4)16-8(19)15-6-5-11(12,13)14/h5-6H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyLBUPRADQGWKCCU-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.13
Rot. Bonds5

About 2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid

2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid (PubChem CID 65264173) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
PubChem CID65264173
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
SMILESCC(C)(NC(=O)NCCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-9(2,7(17)18)10(3,4)16-8(19)15-6-5-11(12,13)14/h5-6H2,1-4H3,(H,17,18)(H2,15,16,19)
InChIKeyLBUPRADQGWKCCU-UHFFFAOYSA-N
XLogP2.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid (CID 65264173) is 2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid is CC(C)(NC(=O)NCCC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid?
The InChIKey is LBUPRADQGWKCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-9(2,7(17)18)10(3,4)16-8(19)15-6-5-11(12,13)14/h5-6H2,1-4H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid?
2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid has a molecular weight of 284.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid is sourced from PubChem (CID 65264173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).