methyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate

C14H24F3NO3 — CID 145300779

IUPACmethyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CCC(C)(C)C(F)(F)F
InChIInChI=1S/C14H24F3NO3/c1-9(2)8-10(12(20)21-5)18-11(19)6-7-13(3,4)14(15,16)17/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyKNMXOYKCIXWTHR-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.06
Rot. Bonds7

About methyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate

methyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate (PubChem CID 145300779) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate
PubChem CID145300779
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC Namemethyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CCC(C)(C)C(F)(F)F
InChIInChI=1S/C14H24F3NO3/c1-9(2)8-10(12(20)21-5)18-11(19)6-7-13(3,4)14(15,16)17/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyKNMXOYKCIXWTHR-UHFFFAOYSA-N
XLogP3.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate (CID 145300779) is methyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)CCC(C)(C)C(F)(F)F.
What is the InChIKey of methyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate?
The InChIKey is KNMXOYKCIXWTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-9(2)8-10(12(20)21-5)18-11(19)6-7-13(3,4)14(15,16)17/h9-10H,6-8H2,1-5H3,(H,18,19).
What are the key properties of methyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate?
methyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate has a molecular weight of 311.34 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(5,5,5-trifluoro-4,4-dimethylpentanoyl)amino]pentanoate is sourced from PubChem (CID 145300779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).