2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

C10H17F3N2O3 — CID 62669037

IUPAC2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCC(CNC(=O)N(CC(F)(F)F)C(C)C)C(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-6(2)15(5-10(11,12)13)9(18)14-4-7(3)8(16)17/h6-7H,4-5H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyXSILFCSUUKBUBB-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.69
Rot. Bonds5

About 2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (PubChem CID 62669037) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
PubChem CID62669037
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCC(CNC(=O)N(CC(F)(F)F)C(C)C)C(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-6(2)15(5-10(11,12)13)9(18)14-4-7(3)8(16)17/h6-7H,4-5H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyXSILFCSUUKBUBB-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (CID 62669037) is 2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is CC(CNC(=O)N(CC(F)(F)F)C(C)C)C(=O)O.
What is the InChIKey of 2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The InChIKey is XSILFCSUUKBUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-6(2)15(5-10(11,12)13)9(18)14-4-7(3)8(16)17/h6-7H,4-5H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid has a molecular weight of 270.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 62669037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).