methyl 2-methyl-3-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate

C9H14F3NO4 — CID 65173781

IUPACmethyl 2-methyl-3-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO4/c1-6(7(14)16-3)4-13(2)8(15)17-5-9(10,11)12/h6H,4-5H2,1-3H3
InChIKeyUJMSJPXEEBGAJE-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.43
Rot. Bonds4

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

methyl 2-methyl-3-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate (PubChem CID 65173781) has the molecular formula C9H14F3NO4 and a molecular weight of 257.21 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate
PubChem CID65173781
Molecular FormulaC9H14F3NO4
Molecular Weight257.21 g/mol
Exact Mass257.09
IUPAC Namemethyl 2-methyl-3-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO4/c1-6(7(14)16-3)4-13(2)8(15)17-5-9(10,11)12/h6H,4-5H2,1-3H3
InChIKeyUJMSJPXEEBGAJE-UHFFFAOYSA-N
XLogP1.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-Methyl-beta-aminoisobutyric acid, N-trifluoroacetyl-, n-butyl ester
CID 85914365
1-O-(1-fluorobutyl) 3-O-methyl azetidine-1,3-dicarboxylate
CID 69368885
2,2,2-Trifluoroethyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 11832991
Methyl 2-methyl-3-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoate
CID 55008247
Methyl 3-[ethyl-(2,2,2-trifluoroacetyl)amino]propanoate
CID 55028968
Ethyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate
CID 55206741
Methyl 3-[propanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794296
Methyl 3-[2-methylpropanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794298
Methyl 3-[acetyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60795002
Methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate
CID 61010157
Methyl 3-[methyl(3,3,3-trifluoropropanoyl)amino]propanoate
CID 61029559
3-[Methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoic acid
CID 61170989

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate (CID 65173781) is methyl 2-methyl-3-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate is COC(=O)C(C)CN(C)C(=O)OCC(F)(F)F.
What is the InChIKey of methyl 2-methyl-3-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate?
The InChIKey is UJMSJPXEEBGAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4/c1-6(7(14)16-3)4-13(2)8(15)17-5-9(10,11)12/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate?
methyl 2-methyl-3-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]propanoate has a molecular weight of 257.21 g/mol, XLogP of 1.43, 4 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(2,2,2-trifluoroethoxycarbonyl)amino]propanoate is sourced from PubChem (CID 65173781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).