4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid

C10H15F3N2O4 — CID 55008970

IUPAC4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C10H15F3N2O4/c1-6(2)15(5-10(11,12)13)9(19)14-7(16)3-4-8(17)18/h6H,3-5H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeyYZVAPFSWZZITEE-UHFFFAOYSA-N
MW284.23 g/mol
LogP1.36
Rot. Bonds5

About 4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid

4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid (PubChem CID 55008970) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
PubChem CID55008970
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C10H15F3N2O4/c1-6(2)15(5-10(11,12)13)9(19)14-7(16)3-4-8(17)18/h6H,3-5H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeyYZVAPFSWZZITEE-UHFFFAOYSA-N
XLogP1.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid (CID 55008970) is 4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid is CC(C)N(CC(F)(F)F)C(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
The InChIKey is YZVAPFSWZZITEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-6(2)15(5-10(11,12)13)9(19)14-7(16)3-4-8(17)18/h6H,3-5H2,1-2H3,(H,17,18)(H,14,16,19).
What are the key properties of 4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid?
4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid has a molecular weight of 284.23 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 55008970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).