2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid

C10H13F6NO3 — CID 103309128

IUPAC2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)C(C(F)(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H13F6NO3/c1-3-4-8(2,7(19)20)17-6(18)5(9(11,12)13)10(14,15)16/h5H,3-4H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGDQZFSSVOVYHLF-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.49
Rot. Bonds5

About 2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid

2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid (PubChem CID 103309128) has the molecular formula C10H13F6NO3 and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid
PubChem CID103309128
Molecular FormulaC10H13F6NO3
Molecular Weight309.21 g/mol
Exact Mass309.08
IUPAC Name2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)C(C(F)(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H13F6NO3/c1-3-4-8(2,7(19)20)17-6(18)5(9(11,12)13)10(14,15)16/h5H,3-4H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGDQZFSSVOVYHLF-UHFFFAOYSA-N
XLogP2.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71405380
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(2S)-4-methyl-2-(trifluoroacetamido)pentanoic acid
CID 14251809
N-trifluoroacetyl-isovaline
CID 129724088
(2S)-4-methyl-2-(3,3,3-trifluoropropanamido)pentanoic acid
CID 30049302
2-Ethyl-2-((2,2,2-trifluoroacetyl)amino)butanoic acid
CID 79807087
2-Acetamido-5,5,5-trifluoro-4-methylpentanoic acid
CID 14132856
2-Acetylamino-5-amino-2-difluoromethylpentanoic acid
CID 19966338
3-Fluoro-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 20067302
2-Acetamido-2,4,4-trifluoro-3-methylbutanoic acid
CID 20154604
(2S,4R)-2-acetamido-5,5,5-trifluoro-4-methylpentanoic acid
CID 23236612

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid (CID 103309128) is 2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid is CCCC(C)(NC(=O)C(C(F)(F)F)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid?
The InChIKey is GDQZFSSVOVYHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO3/c1-3-4-8(2,7(19)20)17-6(18)5(9(11,12)13)10(14,15)16/h5H,3-4H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid?
2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid has a molecular weight of 309.21 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]pentanoic acid is sourced from PubChem (CID 103309128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).