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

C11H19F3N2O3 — CID 65222434

IUPAC2-[[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N(CC(F)(F)F)C(C)C)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-4-8(9(17)18)5-15-10(19)16(7(2)3)6-11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyKQFKFUGBUZELCV-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.08
Rot. Bonds6

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

2-[[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid (PubChem CID 65222434) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-[[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid
PubChem CID65222434
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-[[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N(CC(F)(F)F)C(C)C)C(=O)O
InChIInChI=1S/C11H19F3N2O3/c1-4-8(9(17)18)5-15-10(19)16(7(2)3)6-11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyKQFKFUGBUZELCV-UHFFFAOYSA-N
XLogP2.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid (CID 65222434) is 2-[[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid is CCC(CNC(=O)N(CC(F)(F)F)C(C)C)C(=O)O.
What is the InChIKey of 2-[[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid?
The InChIKey is KQFKFUGBUZELCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-4-8(9(17)18)5-15-10(19)16(7(2)3)6-11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid?
2-[[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid has a molecular weight of 284.28 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65222434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).