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

C11H16F3NO3 — CID 60662964

IUPAC2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)7-15-8(16)5-10(6-9(17)18)3-1-2-4-10/h1-7H2,(H,15,16)(H,17,18)
InChIKeyBBQPPFKQTNYZPF-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.09
Rot. Bonds5

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

2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid (PubChem CID 60662964) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid
PubChem CID60662964
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)7-15-8(16)5-10(6-9(17)18)3-1-2-4-10/h1-7H2,(H,15,16)(H,17,18)
InChIKeyBBQPPFKQTNYZPF-UHFFFAOYSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(Cyclohexylamino)-2-oxoethyl]cyclopentaneacetic acid
CID 4387865
2-[1-[2-(Cyclohexylmethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 45267202
2-(1-(2-(Cyclopropylamino)-2-oxoethyl)cyclopentyl)acetic acid
CID 1547707
2-[1-[2-(5-Aminopentylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 134863040
2-[1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 43396540
2-[1-[2-Oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid
CID 55175329
3-(2,2,2-Trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 55235590
3-(3,3,3-Trifluoropropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 55236954
2-[1-[2-Oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid
CID 61069687
2-[1-[2-Oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid
CID 61070027
2-[1-[2-Oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentyl]acetic acid
CID 61070566

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid (CID 60662964) is 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NCC(F)(F)F)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid?
The InChIKey is BBQPPFKQTNYZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c12-11(13,14)7-15-8(16)5-10(6-9(17)18)3-1-2-4-10/h1-7H2,(H,15,16)(H,17,18).
What are the key properties of 2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid has a molecular weight of 267.25 g/mol, XLogP of 2.09, 5 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-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 60662964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).