4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid

C11H16F3NO3 — CID 54868340

IUPAC4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid
SMILESO=C(O)CCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)7-3-1-2-4-8(7)15-9(16)5-6-10(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18)
InChIKeyVKEANZMIYIGXMN-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.09
Rot. Bonds4

About 4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid

4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid (PubChem CID 54868340) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid
PubChem CID54868340
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid
SMILESO=C(O)CCC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)7-3-1-2-4-8(7)15-9(16)5-6-10(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18)
InChIKeyVKEANZMIYIGXMN-UHFFFAOYSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Methyl 2-methyl-4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoate
CID 75381219
4-(5-Ethyloctan-2-ylamino)-2,2,3,3-tetrafluoro-4-oxobutanoic acid
CID 155110950
4-[[4-(Aminomethyl)-2-methylhexyl]amino]-2,3-difluoro-4-oxobutanoic acid
CID 163843457
4-[(2-Ethylhexyl)amino]-4-oxobutanoic acid
CID 2932551
4-Oxo-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanoic acid
CID 54868228
2-[[3-(Trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868239
4-Oxo-4-[[4-(trifluoromethyl)cyclohexyl]amino]butanoic acid
CID 54868330
2-[[4-(Trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868339
2-[[2-(Trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868352
Ethyl 4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoate
CID 60722479
Ethyl 4-oxo-4-[[4-(trifluoromethyl)cyclohexyl]amino]butanoate
CID 60723331
Ethyl 4-oxo-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanoate
CID 60724403

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid?
The IUPAC name of 4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid (CID 54868340) is 4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid?
The canonical SMILES for 4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid is O=C(O)CCC(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid?
The InChIKey is VKEANZMIYIGXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c12-11(13,14)7-3-1-2-4-8(7)15-9(16)5-6-10(17)18/h7-8H,1-6H2,(H,15,16)(H,17,18).
What are the key properties of 4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid?
4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid has a molecular weight of 267.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[[2-(trifluoromethyl)cyclohexyl]amino]butanoic acid is sourced from PubChem (CID 54868340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).