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

C10H16F3NO4 — CID 54979503

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

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

methyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate (PubChem CID 54979503) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is methyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
PubChem CID54979503
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Namemethyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-3-14(6-9(16)17-2)8(15)4-5-18-7-10(11,12)13/h3-7H2,1-2H3
InChIKeyZMELVLOOQYCRKW-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate (CID 54979503) is methyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate is CCN(CC(=O)OC)C(=O)CCOCC(F)(F)F.
What is the InChIKey of methyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
The InChIKey is ZMELVLOOQYCRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-3-14(6-9(16)17-2)8(15)4-5-18-7-10(11,12)13/h3-7H2,1-2H3.
What are the key properties of methyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
methyl 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate 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 2-[ethyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate is sourced from PubChem (CID 54979503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).