2-[pentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C10H17F3N2O3 — CID 79258702

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

About 2-[pentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[pentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258702) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[pentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[pentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258702
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[pentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCC(C)NC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-3-4-7(2)14-9(18)15(5-8(16)17)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyRFLYOYIQLZIXKQ-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-[pentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[pentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258702) is 2-[pentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[pentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[pentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is CCCC(C)NC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[pentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is RFLYOYIQLZIXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-3-4-7(2)14-9(18)15(5-8(16)17)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[pentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[pentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)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-[pentan-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).