5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid

C12H18F3NO3 — CID 54868351

IUPAC5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid
SMILESO=C(O)CCCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)8-4-1-2-5-9(8)16-10(17)6-3-7-11(18)19/h8-9H,1-7H2,(H,16,17)(H,18,19)
InChIKeyBQZBUXRMIFEFEJ-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.48
Rot. Bonds5

About 5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid

5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid (PubChem CID 54868351) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid
PubChem CID54868351
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid
SMILESO=C(O)CCCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)8-4-1-2-5-9(8)16-10(17)6-3-7-11(18)19/h8-9H,1-7H2,(H,16,17)(H,18,19)
InChIKeyBQZBUXRMIFEFEJ-UHFFFAOYSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid?
The IUPAC name of 5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid (CID 54868351) is 5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid is O=C(O)CCCC(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid?
The InChIKey is BQZBUXRMIFEFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c13-12(14,15)8-4-1-2-5-9(8)16-10(17)6-3-7-11(18)19/h8-9H,1-7H2,(H,16,17)(H,18,19).
What are the key properties of 5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid?
5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid has a molecular weight of 281.27 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid is sourced from PubChem (CID 54868351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).