2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

C11H17F3N2O4 — CID 64815422

IUPAC2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(NCCOCC(F)(F)F)NC1CCCC1C(=O)O
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)6-20-5-4-15-10(19)16-8-3-1-2-7(8)9(17)18/h7-8H,1-6H2,(H,17,18)(H2,15,16,19)
InChIKeyCNHMYKKXJNGJBO-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.12
Rot. Bonds6

About 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64815422) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64815422
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(NCCOCC(F)(F)F)NC1CCCC1C(=O)O
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)6-20-5-4-15-10(19)16-8-3-1-2-7(8)9(17)18/h7-8H,1-6H2,(H,17,18)(H2,15,16,19)
InChIKeyCNHMYKKXJNGJBO-UHFFFAOYSA-N
XLogP1.12
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.12
H-Bond Donors ≤ 53
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 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 64815422) is 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is O=C(NCCOCC(F)(F)F)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is CNHMYKKXJNGJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c12-11(13,14)6-20-5-4-15-10(19)16-8-3-1-2-7(8)9(17)18/h7-8H,1-6H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 298.26 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).