2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid

C13H23F3N2O3 — CID 65263952

IUPAC2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H23F3N2O3/c1-8(2)18(7-13(14,15)16)10(21)17-12(5,6)11(3,4)9(19)20/h8H,7H2,1-6H3,(H,17,21)(H,19,20)
InChIKeyJSIPISGAHIBGLL-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.86
Rot. Bonds5

About 2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid

2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid (PubChem CID 65263952) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
PubChem CID65263952
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H23F3N2O3/c1-8(2)18(7-13(14,15)16)10(21)17-12(5,6)11(3,4)9(19)20/h8H,7H2,1-6H3,(H,17,21)(H,19,20)
InChIKeyJSIPISGAHIBGLL-UHFFFAOYSA-N
XLogP2.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid (CID 65263952) is 2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid is CC(C)N(CC(F)(F)F)C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
The InChIKey is JSIPISGAHIBGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-8(2)18(7-13(14,15)16)10(21)17-12(5,6)11(3,4)9(19)20/h8H,7H2,1-6H3,(H,17,21)(H,19,20).
What are the key properties of 2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid has a molecular weight of 312.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 65263952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).