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

C10H16F3NO3 — CID 119357751

IUPAC4-methyl-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]pentanoic acid
SMILESCC(C(=O)NC(C)(C)CCC(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-6(10(11,12)13)8(17)14-9(2,3)5-4-7(15)16/h6H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyVYDYOMZFVYBNEL-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.94
Rot. Bonds5

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

4-methyl-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]pentanoic acid (PubChem CID 119357751) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-methyl-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]pentanoic acid
PubChem CID119357751
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name4-methyl-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]pentanoic acid
SMILESCC(C(=O)NC(C)(C)CCC(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-6(10(11,12)13)8(17)14-9(2,3)5-4-7(15)16/h6H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyVYDYOMZFVYBNEL-UHFFFAOYSA-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 4-methyl-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]pentanoic acid (CID 119357751) is 4-methyl-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]pentanoic acid is CC(C(=O)NC(C)(C)CCC(=O)O)C(F)(F)F.
What is the InChIKey of 4-methyl-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]pentanoic acid?
The InChIKey is VYDYOMZFVYBNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-6(10(11,12)13)8(17)14-9(2,3)5-4-7(15)16/h6H,4-5H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 4-methyl-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]pentanoic acid?
4-methyl-4-[(3,3,3-trifluoro-2-methylpropanoyl)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 4-methyl-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]pentanoic acid is sourced from PubChem (CID 119357751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).