2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid

C10H17F3N2O3 — CID 63227959

IUPAC2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-3-7(2)15(6-8(16)17)9(18)14-5-4-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyAFOVILAYIFIQSQ-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.83
Rot. Bonds6

About 2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid

2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid (PubChem CID 63227959) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid
PubChem CID63227959
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-3-7(2)15(6-8(16)17)9(18)14-5-4-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyAFOVILAYIFIQSQ-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid (CID 63227959) is 2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NCCC(F)(F)F.
What is the InChIKey of 2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid?
The InChIKey is AFOVILAYIFIQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-3-7(2)15(6-8(16)17)9(18)14-5-4-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid?
2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid has a molecular weight of 270.25 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 63227959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).