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

C11H18F3NO3 — CID 79648675

IUPAC1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-2-5-15-10(9(16)17)4-3-8(6-10)18-7-11(12,13)14/h8,15H,2-7H2,1H3,(H,16,17)
InChIKeyJBMBHENWDXRBEN-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.94
Rot. Bonds6

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

1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid (PubChem CID 79648675) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid
PubChem CID79648675
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-2-5-15-10(9(16)17)4-3-8(6-10)18-7-11(12,13)14/h8,15H,2-7H2,1H3,(H,16,17)
InChIKeyJBMBHENWDXRBEN-UHFFFAOYSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate
CID 79644712
Ethyl 1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate
CID 79644713
Ethyl 1-(cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate
CID 79644714
1-(Cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid
CID 79648372
1-Amino-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid
CID 79648447
Ethyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate
CID 79648525
Methyl 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate
CID 79648598
Ethyl 1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate
CID 79648674
Methyl 1-(cyclopropylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate
CID 79648751
1-(Methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid
CID 79648752
Methyl 1-(methylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate
CID 79648831
Ethyl 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylate
CID 79648908

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid (CID 79648675) is 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid is CCCNC1(C(=O)O)CCC(OCC(F)(F)F)C1.
What is the InChIKey of 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
The InChIKey is JBMBHENWDXRBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-2-5-15-10(9(16)17)4-3-8(6-10)18-7-11(12,13)14/h8,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79648675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).