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

C10H17F3N2O3 — CID 65266510

IUPAC2,2,3-trimethyl-3-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
SMILESCC(C)(NC(=O)NCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-8(2,6(16)17)9(3,4)15-7(18)14-5-10(11,12)13/h5H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyMVWASDKSAPOUMF-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.74
Rot. Bonds4

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

2,2,3-trimethyl-3-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid (PubChem CID 65266510) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
PubChem CID65266510
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2,2,3-trimethyl-3-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
SMILESCC(C)(NC(=O)NCC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-8(2,6(16)17)9(3,4)15-7(18)14-5-10(11,12)13/h5H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyMVWASDKSAPOUMF-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.74
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-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid (CID 65266510) is 2,2,3-trimethyl-3-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid is CC(C)(NC(=O)NCC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid?
The InChIKey is MVWASDKSAPOUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-8(2,6(16)17)9(3,4)15-7(18)14-5-10(11,12)13/h5H2,1-4H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2,2,3-trimethyl-3-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid?
2,2,3-trimethyl-3-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid has a molecular weight of 270.25 g/mol, XLogP of 1.74, 4 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-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 65266510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).