4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid

C14H22F3NO3 — CID 82012800

IUPAC4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO3/c1-9(5-6-12(19)20)8-18-13(21)10-3-2-4-11(7-10)14(15,16)17/h9-11H,2-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyFBBAEFNYURQIGA-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.97
Rot. Bonds6

About 4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid

4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid (PubChem CID 82012800) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid
PubChem CID82012800
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3NO3/c1-9(5-6-12(19)20)8-18-13(21)10-3-2-4-11(7-10)14(15,16)17/h9-11H,2-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyFBBAEFNYURQIGA-UHFFFAOYSA-N
XLogP2.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid (CID 82012800) is 4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid is CC(CCC(=O)O)CNC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid?
The InChIKey is FBBAEFNYURQIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c1-9(5-6-12(19)20)8-18-13(21)10-3-2-4-11(7-10)14(15,16)17/h9-11H,2-8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid?
4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid has a molecular weight of 309.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]pentanoic acid is sourced from PubChem (CID 82012800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).