2-[1-[2-oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid

C13H20F3NO3 — CID 104858987

IUPAC2-[1-[2-oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid
SMILESCC(CC(F)(F)F)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H20F3NO3/c1-9(6-13(14,15)16)17-10(18)7-12(8-11(19)20)4-2-3-5-12/h9H,2-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyLGKGSTHOUPFDKT-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.87
Rot. Bonds6

About 2-[1-[2-oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid (PubChem CID 104858987) has the molecular formula C13H20F3NO3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid
PubChem CID104858987
Molecular FormulaC13H20F3NO3
Molecular Weight295.30 g/mol
Exact Mass295.14
IUPAC Name2-[1-[2-oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid
SMILESCC(CC(F)(F)F)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H20F3NO3/c1-9(6-13(14,15)16)17-10(18)7-12(8-11(19)20)4-2-3-5-12/h9H,2-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyLGKGSTHOUPFDKT-UHFFFAOYSA-N
XLogP2.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-((1-(((1R,2S)-2-propylcyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11537626
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
2-[1-[2-Oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid
CID 55175329
2-[1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid
CID 60662964
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
2-[1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071690

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid (CID 104858987) is 2-[1-[2-oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid is CC(CC(F)(F)F)NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid?
The InChIKey is LGKGSTHOUPFDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO3/c1-9(6-13(14,15)16)17-10(18)7-12(8-11(19)20)4-2-3-5-12/h9H,2-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[2-oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid has a molecular weight of 295.30 g/mol, XLogP of 2.87, 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-(4,4,4-trifluorobutan-2-ylamino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 104858987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).