methyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate

C11H18F3NO4 — CID 55008247

IUPACmethyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H18F3NO4/c1-8(10(17)18-3)6-15(2)9(16)4-5-19-7-11(12,13)14/h8H,4-7H2,1-3H3
InChIKeyILZOTNLXHATIKV-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.22
Rot. Bonds7

About methyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate

methyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate (PubChem CID 55008247) has the molecular formula C11H18F3NO4 and a molecular weight of 285.26 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate
PubChem CID55008247
Molecular FormulaC11H18F3NO4
Molecular Weight285.26 g/mol
Exact Mass285.12
IUPAC Namemethyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H18F3NO4/c1-8(10(17)18-3)6-15(2)9(16)4-5-19-7-11(12,13)14/h8H,4-7H2,1-3H3
InChIKeyILZOTNLXHATIKV-UHFFFAOYSA-N
XLogP1.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate (CID 55008247) is methyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate is COC(=O)C(C)CN(C)C(=O)CCOCC(F)(F)F.
What is the InChIKey of methyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate?
The InChIKey is ILZOTNLXHATIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO4/c1-8(10(17)18-3)6-15(2)9(16)4-5-19-7-11(12,13)14/h8H,4-7H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate?
methyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate has a molecular weight of 285.26 g/mol, XLogP of 1.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate is sourced from PubChem (CID 55008247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).