2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid

C12H20F3NO3 — CID 79258386

IUPAC2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid
SMILESCC(CC(=O)N(CC(=O)O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H20F3NO3/c1-8(11(2,3)4)5-9(17)16(6-10(18)19)7-12(13,14)15/h8H,5-7H2,1-4H3,(H,18,19)
InChIKeyUSBRMVQXSJTYIP-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.53
Rot. Bonds5

About 2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid

2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid (PubChem CID 79258386) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid
PubChem CID79258386
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid
SMILESCC(CC(=O)N(CC(=O)O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H20F3NO3/c1-8(11(2,3)4)5-9(17)16(6-10(18)19)7-12(13,14)15/h8H,5-7H2,1-4H3,(H,18,19)
InChIKeyUSBRMVQXSJTYIP-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid?
The IUPAC name of 2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid (CID 79258386) is 2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid.
What is the SMILES notation for 2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid?
The canonical SMILES for 2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid is CC(CC(=O)N(CC(=O)O)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid?
The InChIKey is USBRMVQXSJTYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-8(11(2,3)4)5-9(17)16(6-10(18)19)7-12(13,14)15/h8H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid?
2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid has a molecular weight of 283.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,2-trifluoroethyl(3,4,4-trimethylpentanoyl)amino]acetic acid is sourced from PubChem (CID 79258386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).