2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid

C10H16F3NO3 — CID 79257806

IUPAC2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)CCC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-7(2)3-4-8(15)14(5-9(16)17)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyWJYLFWBUGWLPGZ-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.90
Rot. Bonds6

About 2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257806) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257806
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)CCC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-7(2)3-4-8(15)14(5-9(16)17)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyWJYLFWBUGWLPGZ-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257806) is 2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid is CC(C)CCC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is WJYLFWBUGWLPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-7(2)3-4-8(15)14(5-9(16)17)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 255.24 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methylpentanoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).