methyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate

C10H16F3NO4 — CID 86824653

IUPACmethyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)COCC(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-3-14(5-4-9(16)17-2)8(15)6-18-7-10(11,12)13/h3-7H2,1-2H3
InChIKeyMCFIVHYNMSDSDL-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.98
Rot. Bonds7

About methyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate

methyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate (PubChem CID 86824653) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate
PubChem CID86824653
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Namemethyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)COCC(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-3-14(5-4-9(16)17-2)8(15)6-18-7-10(11,12)13/h3-7H2,1-2H3
InChIKeyMCFIVHYNMSDSDL-UHFFFAOYSA-N
XLogP0.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate (CID 86824653) is methyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate is CCN(CCC(=O)OC)C(=O)COCC(F)(F)F.
What is the InChIKey of methyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate?
The InChIKey is MCFIVHYNMSDSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-3-14(5-4-9(16)17-2)8(15)6-18-7-10(11,12)13/h3-7H2,1-2H3.
What are the key properties of methyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate?
methyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate has a molecular weight of 271.23 g/mol, XLogP of 0.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate is sourced from PubChem (CID 86824653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).