2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid

C12H18F3NO3 — CID 55175329

IUPAC2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCC(F)(F)F)CCCC1
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)5-6-16-9(17)7-11(8-10(18)19)3-1-2-4-11/h1-8H2,(H,16,17)(H,18,19)
InChIKeyRILYPEFWPUBHTI-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.48
Rot. Bonds6

About 2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid (PubChem CID 55175329) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid
PubChem CID55175329
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCC(F)(F)F)CCCC1
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)5-6-16-9(17)7-11(8-10(18)19)3-1-2-4-11/h1-8H2,(H,16,17)(H,18,19)
InChIKeyRILYPEFWPUBHTI-UHFFFAOYSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid (CID 55175329) is 2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NCCC(F)(F)F)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid?
The InChIKey is RILYPEFWPUBHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c13-12(14,15)5-6-16-9(17)7-11(8-10(18)19)3-1-2-4-11/h1-8H2,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid has a molecular weight of 281.27 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 55175329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).