3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid

C9H12F3NO3 — CID 79792501

IUPAC3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC1CC1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H12F3NO3/c1-4-3-5(4)6(14)13-8(2,7(15)16)9(10,11)12/h4-5H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyOAIUYNQSVGOFRE-UHFFFAOYSA-N
MW239.19 g/mol
LogP1.16
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid

3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid (PubChem CID 79792501) has the molecular formula C9H12F3NO3 and a molecular weight of 239.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
PubChem CID79792501
Molecular FormulaC9H12F3NO3
Molecular Weight239.19 g/mol
Exact Mass239.08
IUPAC Name3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC1CC1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H12F3NO3/c1-4-3-5(4)6(14)13-8(2,7(15)16)9(10,11)12/h4-5H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyOAIUYNQSVGOFRE-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid (CID 79792501) is 3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid is CC1CC1C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is OAIUYNQSVGOFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3/c1-4-3-5(4)6(14)13-8(2,7(15)16)9(10,11)12/h4-5H,3H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid?
3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 239.19 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 79792501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).