7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid

C16H26F3NO3 — CID 120524020

IUPAC7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H26F3NO3/c17-16(18,19)13-8-6-12(7-9-13)11-14(21)20-10-4-2-1-3-5-15(22)23/h12-13H,1-11H2,(H,20,21)(H,22,23)
InChIKeyUOGVEFOVBPMMCX-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.90
Rot. Bonds9

About 7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid

7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid (PubChem CID 120524020) has the molecular formula C16H26F3NO3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid
PubChem CID120524020
Molecular FormulaC16H26F3NO3
Molecular Weight337.38 g/mol
Exact Mass337.19
IUPAC Name7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H26F3NO3/c17-16(18,19)13-8-6-12(7-9-13)11-14(21)20-10-4-2-1-3-5-15(22)23/h12-13H,1-11H2,(H,20,21)(H,22,23)
InChIKeyUOGVEFOVBPMMCX-UHFFFAOYSA-N
XLogP3.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-cyclopentylpropanoylamino)hexanoic acid
CID 16784943
7-(3-cyclopentylpropanoylamino)heptanoic acid
CID 24697400
6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158
6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid
CID 78979666
5-[[2-(3-ethoxycyclobutyl)acetyl]amino]pentanoic acid
CID 103161944
6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid
CID 119219690
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
2-cyclopropyl-N-pentylacetamide
CID 66755217
4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid
CID 119170948
N-(5-bromopentyl)-2-cyclobutylacetamide
CID 107322053
4-[[2-(thian-3-yl)acetyl]amino]butanoic acid
CID 110837502

Frequently Asked Questions

What is the IUPAC name of 7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid?
The IUPAC name of 7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid (CID 120524020) is 7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid?
The canonical SMILES for 7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid is O=C(O)CCCCCCNC(=O)CC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid?
The InChIKey is UOGVEFOVBPMMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO3/c17-16(18,19)13-8-6-12(7-9-13)11-14(21)20-10-4-2-1-3-5-15(22)23/h12-13H,1-11H2,(H,20,21)(H,22,23).
What are the key properties of 7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid?
7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid has a molecular weight of 337.38 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid is sourced from PubChem (CID 120524020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).