methyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate

C9H14F3NO4 — CID 43423880

IUPACmethyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H14F3NO4/c1-13(5-8(15)16-2)7(14)3-4-17-6-9(10,11)12/h3-6H2,1-2H3
InChIKeyIJNXCQKCIPEXBG-UHFFFAOYSA-N
MW257.21 g/mol
LogP0.59
Rot. Bonds6

About methyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate

methyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate (PubChem CID 43423880) has the molecular formula C9H14F3NO4 and a molecular weight of 257.21 g/mol. Its IUPAC name is methyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
PubChem CID43423880
Molecular FormulaC9H14F3NO4
Molecular Weight257.21 g/mol
Exact Mass257.09
IUPAC Namemethyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C9H14F3NO4/c1-13(5-8(15)16-2)7(14)3-4-17-6-9(10,11)12/h3-6H2,1-2H3
InChIKeyIJNXCQKCIPEXBG-UHFFFAOYSA-N
XLogP0.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Sarcosine, n-pentafluoropropionyl-, isobutyl ester
CID 91730512
Sarcosine, n-pentafluoropropionyl-, propyl ester
CID 91730517
Sarcosine, n-heptafluorobutyryl-, propyl ester
CID 91737613
Sarcosine, n-heptafluorobutyryl-, ethyl ester
CID 91737617
Sarcosine, n-heptafluorobutyryl-, butyl ester
CID 91737646
Glycine, N-methyl-N-(trifluoroacetyl)-, butyl ester
CID 587635
Sarcosine, N-pentafluoropropionyl-, isopropyl ester
CID 605274
Ethyl 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 44190410
Sarcosylsarcosine, n-pentafluoropropionyl-, propyl ester
CID 91730553
Sarcosylsarcosine, n-pentafluoropropionyl-, ethyl ester
CID 91730556
2-(N-Ethyl-2,2,3,3,3-pentafluoropropanamido)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91733397
Methyl 3-[2-[2-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 121378971

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate (CID 43423880) is methyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate is COC(=O)CN(C)C(=O)CCOCC(F)(F)F.
What is the InChIKey of methyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
The InChIKey is IJNXCQKCIPEXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4/c1-13(5-8(15)16-2)7(14)3-4-17-6-9(10,11)12/h3-6H2,1-2H3.
What are the key properties of methyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
methyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate has a molecular weight of 257.21 g/mol, XLogP of 0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate is sourced from PubChem (CID 43423880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).