1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid

C11H16F3NO3 — CID 79648372

IUPAC1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)6-18-8-3-4-10(5-8,9(16)17)15-7-1-2-7/h7-8,15H,1-6H2,(H,16,17)
InChIKeyOXFOFGWYPZXNSR-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.69
Rot. Bonds5

About 1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid

1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid (PubChem CID 79648372) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid
PubChem CID79648372
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)6-18-8-3-4-10(5-8,9(16)17)15-7-1-2-7/h7-8,15H,1-6H2,(H,16,17)
InChIKeyOXFOFGWYPZXNSR-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid (CID 79648372) is 1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid is O=C(O)C1(NC2CC2)CCC(OCC(F)(F)F)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
The InChIKey is OXFOFGWYPZXNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c12-11(13,14)6-18-8-3-4-10(5-8,9(16)17)15-7-1-2-7/h7-8,15H,1-6H2,(H,16,17).
What are the key properties of 1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79648372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).