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

C10H17F3N2O3 — CID 61266416

IUPACmethyl 3-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)C(C)(C)N
InChIInChI=1S/C10H17F3N2O3/c1-9(2,14)8(17)15(6-10(11,12)13)5-4-7(16)18-3/h4-6,14H2,1-3H3
InChIKeyYSXSLJIZUYQCHO-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.68
Rot. Bonds5

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

methyl 3-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 61266416) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is methyl 3-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID61266416
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Namemethyl 3-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)C(C)(C)N
InChIInChI=1S/C10H17F3N2O3/c1-9(2,14)8(17)15(6-10(11,12)13)5-4-7(16)18-3/h4-6,14H2,1-3H3
InChIKeyYSXSLJIZUYQCHO-UHFFFAOYSA-N
XLogP0.68
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.68
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-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate (CID 61266416) is methyl 3-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(CC(F)(F)F)C(=O)C(C)(C)N.
What is the InChIKey of methyl 3-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is YSXSLJIZUYQCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-9(2,14)8(17)15(6-10(11,12)13)5-4-7(16)18-3/h4-6,14H2,1-3H3.
What are the key properties of methyl 3-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 270.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 61266416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).