methyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate

C11H18F3NO4 — CID 78883817

IUPACmethyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
SMILESCOC(=O)CN(C(=O)C(C)OCC(F)(F)F)C(C)C
InChIInChI=1S/C11H18F3NO4/c1-7(2)15(5-9(16)18-4)10(17)8(3)19-6-11(12,13)14/h7-8H,5-6H2,1-4H3
InChIKeyKKGBFMOKOUPFGA-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.36
Rot. Bonds6

About methyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate

methyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate (PubChem CID 78883817) has the molecular formula C11H18F3NO4 and a molecular weight of 285.26 g/mol. Its IUPAC name is methyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
PubChem CID78883817
Molecular FormulaC11H18F3NO4
Molecular Weight285.26 g/mol
Exact Mass285.12
IUPAC Namemethyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
SMILESCOC(=O)CN(C(=O)C(C)OCC(F)(F)F)C(C)C
InChIInChI=1S/C11H18F3NO4/c1-7(2)15(5-9(16)18-4)10(17)8(3)19-6-11(12,13)14/h7-8H,5-6H2,1-4H3
InChIKeyKKGBFMOKOUPFGA-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 605274
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CID 223955
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CID 592911
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CID 592913
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CID 592935
CID 592935
CID 22213071
CID 22213071
CID 22217129
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CID 22217131
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CID 90473383
CID 90473383
CID 57219811
CID 57219811
CID 87708113
CID 87708113

Frequently Asked Questions

What is the IUPAC name of methyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
The IUPAC name of methyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate (CID 78883817) is methyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate is COC(=O)CN(C(=O)C(C)OCC(F)(F)F)C(C)C.
What is the InChIKey of methyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
The InChIKey is KKGBFMOKOUPFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO4/c1-7(2)15(5-9(16)18-4)10(17)8(3)19-6-11(12,13)14/h7-8H,5-6H2,1-4H3.
What are the key properties of methyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
methyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate has a molecular weight of 285.26 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate is sourced from PubChem (CID 78883817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).