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

C12H18F3NO4 — CID 61410597

IUPACethyl 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C12H18F3NO4/c1-2-20-11(18)7-16(9-3-4-9)10(17)5-6-19-8-12(13,14)15/h9H,2-8H2,1H3
InChIKeyZZJOPMZTAMSONW-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.51
Rot. Bonds8

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

ethyl 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate (PubChem CID 61410597) has the molecular formula C12H18F3NO4 and a molecular weight of 297.27 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
PubChem CID61410597
Molecular FormulaC12H18F3NO4
Molecular Weight297.27 g/mol
Exact Mass297.12
IUPAC Nameethyl 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CCOCC(F)(F)F)C1CC1
InChIInChI=1S/C12H18F3NO4/c1-2-20-11(18)7-16(9-3-4-9)10(17)5-6-19-8-12(13,14)15/h9H,2-8H2,1H3
InChIKeyZZJOPMZTAMSONW-UHFFFAOYSA-N
XLogP1.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.51
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 ethyl 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate (CID 61410597) is ethyl 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate is CCOC(=O)CN(C(=O)CCOCC(F)(F)F)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
The InChIKey is ZZJOPMZTAMSONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO4/c1-2-20-11(18)7-16(9-3-4-9)10(17)5-6-19-8-12(13,14)15/h9H,2-8H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate?
ethyl 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate has a molecular weight of 297.27 g/mol, XLogP of 1.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate is sourced from PubChem (CID 61410597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).