5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid

C20H26F3NO3 — CID 120546751

IUPAC5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C20H26F3NO3/c21-20(22,23)16-8-6-15(7-9-16)13-18(25)24-17(10-11-19(26)27)12-14-4-2-1-3-5-14/h1-5,15-17H,6-13H2,(H,24,25)(H,26,27)
InChIKeyVUSWTZMUKFNSJH-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.34
Rot. Bonds8

About 5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid

5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid (PubChem CID 120546751) has the molecular formula C20H26F3NO3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid
PubChem CID120546751
Molecular FormulaC20H26F3NO3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C20H26F3NO3/c21-20(22,23)16-8-6-15(7-9-16)13-18(25)24-17(10-11-19(26)27)12-14-4-2-1-3-5-14/h1-5,15-17H,6-13H2,(H,24,25)(H,26,27)
InChIKeyVUSWTZMUKFNSJH-UHFFFAOYSA-N
XLogP4.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 102673858
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid
CID 120547201
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027495
4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122027588
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[3-(2,2-dimethylpropanoylamino)propanoylamino]-5-phenylpentanoic acid
CID 120546957
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028421

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid (CID 120546751) is 5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)CC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid?
The InChIKey is VUSWTZMUKFNSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3NO3/c21-20(22,23)16-8-6-15(7-9-16)13-18(25)24-17(10-11-19(26)27)12-14-4-2-1-3-5-14/h1-5,15-17H,6-13H2,(H,24,25)(H,26,27).
What are the key properties of 5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid?
5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid has a molecular weight of 385.43 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid is sourced from PubChem (CID 120546751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).