1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid

C11H18F3NO3 — CID 79648986

IUPAC1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-7(2)15-10(9(16)17)4-3-8(5-10)18-6-11(12,13)14/h7-8,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyPVUNJKDUNIVFBN-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.94
Rot. Bonds5

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

1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid (PubChem CID 79648986) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid
PubChem CID79648986
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO3/c1-7(2)15-10(9(16)17)4-3-8(5-10)18-6-11(12,13)14/h7-8,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyPVUNJKDUNIVFBN-UHFFFAOYSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid (CID 79648986) is 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid is CC(C)NC1(C(=O)O)CCC(OCC(F)(F)F)C1.
What is the InChIKey of 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
The InChIKey is PVUNJKDUNIVFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-7(2)15-10(9(16)17)4-3-8(5-10)18-6-11(12,13)14/h7-8,15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid?
1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79648986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).