methyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate

C10H17F3N2O3 — CID 79805761

IUPACmethyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-6(7(16)18-4)5-15(3)8(17)9(2,14)10(11,12)13/h6H,5,14H2,1-4H3
InChIKeyROEKCOCATMWFOY-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.53
Rot. Bonds4

About methyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate

methyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate (PubChem CID 79805761) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is methyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate
PubChem CID79805761
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Namemethyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-6(7(16)18-4)5-15(3)8(17)9(2,14)10(11,12)13/h6H,5,14H2,1-4H3
InChIKeyROEKCOCATMWFOY-UHFFFAOYSA-N
XLogP0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate (CID 79805761) is methyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of methyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate?
The InChIKey is ROEKCOCATMWFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-6(7(16)18-4)5-15(3)8(17)9(2,14)10(11,12)13/h6H,5,14H2,1-4H3.
What are the key properties of methyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate?
methyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate has a molecular weight of 270.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 79805761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).