1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid

C12H18F3NO4 — CID 63826772

IUPAC1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCCOCC(F)(F)F
InChIInChI=1S/C12H18F3NO4/c13-12(14,15)8-20-6-5-16-9(17)7-11(10(18)19)3-1-2-4-11/h1-8H2,(H,16,17)(H,18,19)
InChIKeyYVRGXTZCORUNQX-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.72
Rot. Bonds7

About 1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid

1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 63826772) has the molecular formula C12H18F3NO4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid
PubChem CID63826772
Molecular FormulaC12H18F3NO4
Molecular Weight297.27 g/mol
Exact Mass297.12
IUPAC Name1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCCOCC(F)(F)F
InChIInChI=1S/C12H18F3NO4/c13-12(14,15)8-20-6-5-16-9(17)7-11(10(18)19)3-1-2-4-11/h1-8H2,(H,16,17)(H,18,19)
InChIKeyYVRGXTZCORUNQX-UHFFFAOYSA-N
XLogP1.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid (CID 63826772) is 1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)NCCOCC(F)(F)F.
What is the InChIKey of 1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is YVRGXTZCORUNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO4/c13-12(14,15)8-20-6-5-16-9(17)7-11(10(18)19)3-1-2-4-11/h1-8H2,(H,16,17)(H,18,19).
What are the key properties of 1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid?
1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63826772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).