1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid

C13H20F3NO3 — CID 60949547

IUPAC1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCCCN(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H20F3NO3/c1-2-7-17(9-13(14,15)16)10(18)8-12(11(19)20)5-3-4-6-12/h2-9H2,1H3,(H,19,20)
InChIKeyJAOQZMRHIKHBOS-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.82
Rot. Bonds6

About 1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid

1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 60949547) has the molecular formula C13H20F3NO3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid
PubChem CID60949547
Molecular FormulaC13H20F3NO3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC Name1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCCCN(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H20F3NO3/c1-2-7-17(9-13(14,15)16)10(18)8-12(11(19)20)5-3-4-6-12/h2-9H2,1H3,(H,19,20)
InChIKeyJAOQZMRHIKHBOS-UHFFFAOYSA-N
XLogP2.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid (CID 60949547) is 1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid is CCCN(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is JAOQZMRHIKHBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO3/c1-2-7-17(9-13(14,15)16)10(18)8-12(11(19)20)5-3-4-6-12/h2-9H2,1H3,(H,19,20).
What are the key properties of 1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid?
1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 60949547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).