(2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid

C10H16F3NO3 — CID 71366818

IUPAC(2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
SMILESCC[C@@](CC(C)C)(NC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H16F3NO3/c1-4-9(8(16)17,5-6(2)3)14-7(15)10(11,12)13/h6H,4-5H2,1-3H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyQJJLFUBLVHSNIM-VIFPVBQESA-N
MW255.24 g/mol
LogP1.94
Rot. Bonds5

About (2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid

(2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid (PubChem CID 71366818) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is (2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
PubChem CID71366818
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name(2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
SMILESCC[C@@](CC(C)C)(NC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H16F3NO3/c1-4-9(8(16)17,5-6(2)3)14-7(15)10(11,12)13/h6H,4-5H2,1-3H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyQJJLFUBLVHSNIM-VIFPVBQESA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid (CID 71366818) is (2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid is CC[C@@](CC(C)C)(NC(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
The InChIKey is QJJLFUBLVHSNIM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-4-9(8(16)17,5-6(2)3)14-7(15)10(11,12)13/h6H,4-5H2,1-3H3,(H,14,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid?
(2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoic acid is sourced from PubChem (CID 71366818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).