2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid

C14H22F3NO3 — CID 61070027

IUPAC2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid
SMILESCCCN(CC(F)(F)F)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H22F3NO3/c1-2-7-18(10-14(15,16)17)11(19)8-13(9-12(20)21)5-3-4-6-13/h2-10H2,1H3,(H,20,21)
InChIKeyGGZZBDDPPKJOLL-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.21
Rot. Bonds7

About 2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid (PubChem CID 61070027) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid
PubChem CID61070027
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid
SMILESCCCN(CC(F)(F)F)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H22F3NO3/c1-2-7-18(10-14(15,16)17)11(19)8-13(9-12(20)21)5-3-4-6-13/h2-10H2,1H3,(H,20,21)
InChIKeyGGZZBDDPPKJOLL-UHFFFAOYSA-N
XLogP3.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid (CID 61070027) is 2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid is CCCN(CC(F)(F)F)C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid?
The InChIKey is GGZZBDDPPKJOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c1-2-7-18(10-14(15,16)17)11(19)8-13(9-12(20)21)5-3-4-6-13/h2-10H2,1H3,(H,20,21).
What are the key properties of 2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid has a molecular weight of 309.33 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61070027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).