methyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate

C11H18F3NO4 — CID 103028948

IUPACmethyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)C(C)(C)OC
InChIInChI=1S/C11H18F3NO4/c1-10(2,19-4)9(17)15(7-11(12,13)14)6-5-8(16)18-3/h5-7H2,1-4H3
InChIKeyZHTDCPFCGCWZNL-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.37
Rot. Bonds6

About methyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 103028948) has the molecular formula C11H18F3NO4 and a molecular weight of 285.26 g/mol. Its IUPAC name is methyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID103028948
Molecular FormulaC11H18F3NO4
Molecular Weight285.26 g/mol
Exact Mass285.12
IUPAC Namemethyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)C(C)(C)OC
InChIInChI=1S/C11H18F3NO4/c1-10(2,19-4)9(17)15(7-11(12,13)14)6-5-8(16)18-3/h5-7H2,1-4H3
InChIKeyZHTDCPFCGCWZNL-UHFFFAOYSA-N
XLogP1.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate (CID 103028948) is methyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(CC(F)(F)F)C(=O)C(C)(C)OC.
What is the InChIKey of methyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is ZHTDCPFCGCWZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO4/c1-10(2,19-4)9(17)15(7-11(12,13)14)6-5-8(16)18-3/h5-7H2,1-4H3.
What are the key properties of methyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 285.26 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxy-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 103028948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).