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

C11H18F3NO4 — CID 54900927

IUPACethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H18F3NO4/c1-3-15(7-10(17)19-4-2)9(16)5-6-18-8-11(12,13)14/h3-8H2,1-2H3
InChIKeyVIDIWUSCZYRVNB-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.37
Rot. Bonds8

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

ethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate (PubChem CID 54900927) has the molecular formula C11H18F3NO4 and a molecular weight of 285.26 g/mol. Its IUPAC name is ethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
PubChem CID54900927
Molecular FormulaC11H18F3NO4
Molecular Weight285.26 g/mol
Exact Mass285.12
IUPAC Nameethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H18F3NO4/c1-3-15(7-10(17)19-4-2)9(16)5-6-18-8-11(12,13)14/h3-8H2,1-2H3
InChIKeyVIDIWUSCZYRVNB-UHFFFAOYSA-N
XLogP1.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.37
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
Butyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]propanoate
CID 592913
Glycine, N-ethyl-N-(trifluoroacetyl)-, 1-methylpropyl ester
CID 592935
Butyl N-(trifluoroacetyl)-N-ethylglycinate
CID 592990
Sarcosine, N-pentafluoropropionyl-, isopropyl ester
CID 605274
L-Alanine, N-methyl-N-(trifluoroacetyl)-, butyl ester
CID 22217129
Glycine, N-ethyl-N-(trifluoroacetyl)-, 1-methylpropyl ester, (S)-
CID 22217131
Ethyl 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 44190410
Sarcosylsarcosine, n-pentafluoropropionyl-, propyl ester
CID 91730553

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate (CID 54900927) is ethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate is CCOC(=O)CN(CC)C(=O)CCOCC(F)(F)F.
What is the InChIKey of ethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
The InChIKey is VIDIWUSCZYRVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO4/c1-3-15(7-10(17)19-4-2)9(16)5-6-18-8-11(12,13)14/h3-8H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
ethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate has a molecular weight of 285.26 g/mol, XLogP of 1.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate is sourced from PubChem (CID 54900927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).