4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid

C16H20F3NO3 — CID 119188017

IUPAC4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)CC(c1ccccc1)C(F)(F)F)C(=O)O
InChIInChI=1S/C16H20F3NO3/c1-10(2)8-13(15(22)23)20-14(21)9-12(16(17,18)19)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyLLMNXVBLRJBVQO-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.34
Rot. Bonds7

About 4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid

4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid (PubChem CID 119188017) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid
PubChem CID119188017
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)CC(c1ccccc1)C(F)(F)F)C(=O)O
InChIInChI=1S/C16H20F3NO3/c1-10(2)8-13(15(22)23)20-14(21)9-12(16(17,18)19)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyLLMNXVBLRJBVQO-UHFFFAOYSA-N
XLogP3.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
CID 119165660
(E)-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]hex-4-enoic acid
CID 120693330
(2S)-4-methyl-2-(3-phenylpentanoylamino)pentanoic acid
CID 119362028
(2R)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119363670
(2S)-2-[(3-acetamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119361300
4-methyl-2-[(2,2,2-trifluoro-1-phenylethyl)amino]pentanoic acid
CID 76540409
2-[(3-benzamido-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 119188451
(2S)-4-methyl-2-(2-phenylpropanoylamino)pentanoic acid
CID 114028706
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441
(2S)-4-methyl-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pentanoic acid
CID 119361872
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
(2S)-2-[3-(4-aminophenyl)butanoylamino]-4-methylpentanoic acid
CID 104502398

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid (CID 119188017) is 4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid is CC(C)CC(NC(=O)CC(c1ccccc1)C(F)(F)F)C(=O)O.
What is the InChIKey of 4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid?
The InChIKey is LLMNXVBLRJBVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-10(2)8-13(15(22)23)20-14(21)9-12(16(17,18)19)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid?
4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid has a molecular weight of 331.33 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]pentanoic acid is sourced from PubChem (CID 119188017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).